SCHEMBL4392238

SCHEMBL4392238

CN(C)/C(=C/Cc1ccccc1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
HPGD P15428 1/20 0.40
MAOB P27338 1/20 0.40
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
TOP1 P11387 1/20 0.38
TSHR P16473 1/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
AKR1B1 P15121 1/20 0.38
ALOX5 P09917 1/20 0.38
CYP2C19 P33261 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6451796 0.82 GRIK1 (0.49) KMT2AALDH1A1ALOX5
SCHEMBL28291149 0.80 MEN1 (0.47) NPC1RAB9AHPGDKMT2AALDH1A1
(Chloromethyl)Benzene SCHEMBL130255 0.78 NPC1 (0.37) NPC1RAB9ACA12CA9HPGD
SCHEMBL9241269 0.75 NPC1 (0.40) NPC1RAB9ACA12CA9HPGD
SCHEMBL30528 0.75 CYP2C9 (0.51) NPC1RAB9AHPGDMAOBKMT2A
SCHEMBL30530 0.75 CYP2C9 (0.51) NPC1RAB9AHPGDMAOBKMT2A
SCHEMBL19886117 0.75 MAOB (0.44) NPC1RAB9ACA12CA9MAOB
SCHEMBL4215638 0.74 MAOB (0.48) MAOBKMT2AALDH1A1MEN1TOP1
SCHEMBL6067701 0.74 MAOB (0.48) MAOBKMT2AALDH1A1MEN1TOP1
SCHEMBL4215635 0.74 MAOB (0.48) MAOBKMT2AALDH1A1MEN1TOP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1587497-B1 METHOD FOR PRODUCING AN IMMEDIATELY DECOMPOSING ORAL FORM OF ADMINISTRATION WHICH RELEASES ACTIVE INGREDIENTS EVONIK ROEHM GMBH (DE) 2014-11-12 EP disclosed
EP-1978936-B1 Pharmaceutical compositions containing mixtures of polymers and active agents poorly soluble in water EVONIK ROEHM GMBH (DE) 2013-07-10 EP disclosed
EP-2120955-A1 PELLETS COMPRISING AN ACTIVE SUBSTANCE MATRIX AND A POLYMER COATING, AND A METHOD FOR PRODUCING SAID PELLETS Evonik Röhm GmbH (DE) 2009-11-25 EP disclosed
EP-1978936-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING MIXTURES OF POLYMERS AND ACTIVE AGENTS POORLY SOLUBLE IN WATER Evonik Röhm GmbH (DE) 2008-10-15 EP disclosed
EP-1432409-B1 GRANULATE OR POWDER FOR PRODUCING COATING OR BINDING AGENTS FOR MEDICAMENTS EVONIK ROEHM GMBH (DE) 2008-09-17 EP disclosed
WO-2008101554-A1 PELLETS COMPRISING AN ACTIVE SUBSTANCE MATRIX AND A POLYMER COATING, AND A METHOD FOR PRODUCING SAID PELLETS EVONIK RÖHM GMBH (DE) 2008-08-28 WO disclosed
EP-1781252-B1 METHOD FOR PRODUCING COATED DRUGS HAVING A STABLE PROFILE FOR THE RELEASE OF ACTIVE INGREDIENTS EVONIK ROEHM GMBH (DE) 2008-01-09 EP disclosed
EP-1438025-B1 METHOD FOR PRODUCTION OF ACTIVE INGREDIENT-CONTAINING PELLETS EVONIK ROEHM GMBH (DE) 2007-12-05 EP disclosed
WO-2007090721-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING MIXTURES OF POLYMERS AND ACTIVE AGENTS POORLY SOLUBLE IN WATER EVONIK RÖHM GMBH (DE) 2007-08-16 WO disclosed
EP-1781252-A2 METHOD FOR PRODUCING COATED DRUGS HAVING A STABLE PROFILE FOR THE RELEASE OF ACTIVE INGREDIENTS Röhm GmbH (DE) 2007-05-09 EP disclosed
EP-1432409-A1 GRANULATE OR POWDER FOR PRODUCING COATING OR BINDING AGENTS FOR MEDICAMENTS Röhm GmbH & Co. KG (DE) 2004-06-30 EP disclosed
WO-2004019918-A1 GRANULATE OR POWDER FOR PRODUCING COATING OR BINDING AGENTS FOR MEDICAMENTS Röhm GmbH & Co. KG (DE) 2004-03-11 WO disclosed
EP-1368007-A1 COATING AND BINDING AGENT FOR PHARMACEUTICAL FORMULATIONS WITH IMPROVED STORAGE STABILITY Röhm GmbH & Co. KG (DE) 2003-12-10 EP disclosed
WO-2003057199-A1 ADHESIVE AND BINDING AGENT FOR DERMAL OR TRANSDERMAL TREATMENT SYSTEMS Röhm GmbH & Co. KG (DE) 2003-07-17 WO disclosed
WO-2003035038-A1 METHOD FOR PRODUCTION OF ACTIVE INGREDIENT-CONTAINING PELLETS Röhm GmbH & Co. KG (DE) 2003-05-01 WO disclosed
EP-1098935-B1 COATING AND EXCIPIENT AGENT FOR ORAL OR DERMAL DOSAGE FORMS ROEHM GMBH (DE) 2003-01-02 EP disclosed
WO-2002067906-A1 COATING AND BINDING AGENT FOR PHARMACEUTICAL FORMULATIONS WITH IMPROVED STORAGE STABILITY Röhm GmbH & Co. KG (DE) 2002-09-06 WO disclosed
WO-2002060417-A1 BINDING AGENT WHICH IS STABLE IN STORAGE AND USED FOR PHARMACEUTICAL APPLICATIONS Röhm GmbH & Co. KG (DE) 2002-08-08 WO disclosed
EP-1098935-A1 COATING AND EXCIPIENT AGENT FOR ORAL OR DERMAL DOSAGE FORMS RÖHM GMBH (DE) 2001-05-16 EP disclosed
WO-2000005307-A1 COATING AND EXCIPIENT AGENT FOR ORAL OR DERMAL DOSAGE FORMS RÖHM GMBH (DE) 2000-02-03 WO disclosed