SCHEMBL3389753

SCHEMBL3389753

CCOc1cc(-c2ccccc2)n(-c2ccccc2)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
MDM2 Q00987 4/20 0.56
MCL1 Q07820 3/20 0.56
BCL2 P10415 2/20 0.56
CNR1 P21554 1/20 0.54
CNR2 P34972 1/20 0.54
RPA1 P27694 2/20 0.49
PTGS1 P23219 1/20 0.49
PTGS2 P35354 1/20 0.47
SIGMAR1 Q99720 1/20 0.45
CA9 Q16790 1/20 0.44
FABP4 P15090 3/20 0.44
FABP3 P05413 2/20 0.44
ALDH1A1 P00352 2/20 0.43
MAPK1 P28482 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL3389952 0.90 MALT1 (0.52) NPC1RAB9AMDM2MCL1BCL2
SCHEMBL6344046 0.85 PTGS2 (0.66) PTGS1PTGS2CA9CYP2C9
SCHEMBL29074654 0.83 MDM2 (0.53) NPC1RAB9AMDM2MCL1BCL2
SCHEMBL10504777 0.82 NPC1 (0.54) NPC1RAB9AMDM2MCL1BCL2
SCHEMBL11431929 0.82 HTT (0.61) NPC1RAB9AMDM2MCL1BCL2
SCHEMBL17290871 0.81 BCL2 (0.46) MDM2MCL1BCL2ALDH1A1HPGD
SCHEMBL11444157 0.81 NPC1 (0.49) NPC1RAB9AMDM2MCL1BCL2
SCHEMBL29074642 0.81 HTT (0.59) NPC1RAB9AMDM2MCL1BCL2
SCHEMBL11497254 0.80 MDM2 (0.50) NPC1RAB9AMDM2MCL1BCL2
SCHEMBL11650362 0.79 MAPK1 (0.56) NPC1RAB9AMDM2MCL1BCL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7858675-B2 Composition with polymer and an oxidation-catalyst DSM IP ASSETS B.V. (NL) 2010-12-28 US disclosed
EP-2038340-B1 PROCESS FOR IMPROVING THE BIODEGRADABILITY OF A POLYMER DSM IP ASSETS BV (NL) 2010-12-22 EP disclosed
US-20100048764-A1 adding 1,2-oxo-hydroxy compound for catalyzing and increasing the rate of biodegradation of a polymer to carbon dioxide and water; low density polymer, linear low density polymer, or high density of polyethylene, or polypropylene and their copolymers; environmentally friendly; free of transition metals DSM IP ASSETS B.V. (NL) 2010-02-25 US disclosed
WO-2010015656-A2 NEW ALKOXYPYRAZOLES INSTITUT PASTEUR (FR) 2010-02-11 WO disclosed
EP-2151434-A1 Alkoxypyrazoles and the process for their preparation Institut Pasteur (FR) 2010-02-10 EP disclosed
EP-2151434-A1 Alkoxypyrazoles and the process for their preparation Institut Pasteur (FR) 2010-02-10 EP disclosed
EP-2038340-A1 PROCESS FOR IMPROVING THE BIODEGRADABILITY OF A POLYMER DSMIP Assets B.V. (NL) 2009-03-25 EP disclosed
WO-2008006492-A1 PROCESS FOR IMPROVING THE BIODEGRADABILITY OF A POLYMER DSM IP ASSETS B.V. (NL) 2008-01-17 WO disclosed