SCHEMBL4447755

SCHEMBL4447755

NC(=O)C1=C(C(=O)O)CCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.42
PARP15 Q460N3 1/20 0.42
PARP10 Q53GL7 1/20 0.42
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
MEN1 O00255 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
DHODH Q02127 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
USP2 O75604 1/20 0.32
TSHR P16473 1/20 0.32
LMNA P02545 1/20 0.32
GRIK1 P39086 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31

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
SCHEMBL4334172 1.00 PARP1 (0.42) PARP1PARP15PARP10ALDH1A1KDM4E
SCHEMBL10017853 0.95 PARP1 (0.46) PARP1PARP15PARP10ALDH1A1KDM4E
SCHEMBL10954847 0.89 PARP1 (0.37) PARP1PARP15PARP10ALDH1A1MAPT
SCHEMBL4447758 0.89 ALDH1A1 (0.37) PARP1PARP15PARP10ALDH1A1KDM4E
SCHEMBL12491707 0.86 DHODH (0.41) PARP1PARP15PARP10ALDH1A1KMT2A
SCHEMBL217840 0.86 DHODH (0.41) PARP1PARP15PARP10ALDH1A1KMT2A
SCHEMBL12491709 0.86 DHODH (0.41) PARP1PARP15PARP10ALDH1A1KMT2A
SCHEMBL17024326 0.86 DHODH (0.41) PARP1PARP15PARP10ALDH1A1KMT2A
SCHEMBL17024327 0.86 DHODH (0.41) PARP1PARP15PARP10ALDH1A1KMT2A
SCHEMBL28247062 0.86 DHODH (0.41) PARP1PARP15PARP10ALDH1A1KMT2A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090215192-A1 Solid-phase affinity-based method for preparing and manipulating an analyte-containing solution STRATOS BIOSYSTEMS, LLC (US) 2009-08-27 US disclosed
WO-2005118129-A1 SOLID-PHASE AFFINITY-BASED METHOD FOR PREPARING AND MANIPULATING AN ANALYTE-CONTAINING SOLUTION STRATOS BIOSYSTEMS, LLC (US) 2005-12-15 WO disclosed
US-5684029-A HYPOTENSIVE AGENTS KARL THOMAE GMBH (DE) 1997-11-04 US disclosed
EP-0635485-B1 TETRAHYDROPHTHALAMIDE DERIVATIVE, INTERMEDIATE FOR PRODUCING THE SAME, PRODUCTION OF BOTH, AND HERBICIDE CONTAINING THE SAME AS ACTIVE INGREDIENT SAGAMI CHEM RES (JP) 1997-06-11 EP disclosed
US-5587393-A ANGIOTENSIN ANTAGONIST USEFUL IN TREATING HYPERTENSION DR. KARL THOMAE GMBH (DE) 1996-12-24 US disclosed
US-5554581-A Tetrahydrophthalamide derivative, intermediate for producing the same, production of both, and herbicide containing the same as active ingredient SAGAMI CHEMICAL RESEARCH CENTER (JP) 1996-09-10 US disclosed
US-5506190-A Tetrahydrophthalamide derivative, intermediate for producing the same, production of both, and herbicide containing the same as active ingredient SAGAMI CHEMICAL RESEARCH CENTER (JP) 1996-04-09 US disclosed
US-5385925-A Benzimidazoles, pharmaceutical compositions containing these compounds and processes for preparing them DR. KARL THOMAE GMBH (DE) 1995-01-31 US disclosed
EP-0635485-A1 TETRAHYDROPHTHALAMIDE DERIVATIVE, INTERMEDIATE FOR PRODUCING THE SAME, PRODUCTION OF BOTH, AND HERBICIDE CONTAINING THE SAME AS ACTIVE INGREDIENT SAGAMI CHEMICAL RESEARCH CENTER (JP) 1995-01-25 EP disclosed