SCHEMBL17814239

SCHEMBL17814239

COc1ccc(C2(c3ccc(OC)cc3)NC(=O)c3ccccc32)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.47
TNKS2 Q9H2K2 1/20 0.46
MAPT P10636 6/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TP53 P04637 1/20 0.45
HPGD P15428 1/20 0.45
MAOA P21397 1/20 0.45
PTGS2 P35354 1/20 0.45
KMT2A Q03164 2/20 0.44
MAPK1 P28482 1/20 0.44
AKR1B1 P15121 1/20 0.44
ALDH1A1 P00352 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
MEN1 O00255 1/20 0.44
CYP2C9 P11712 1/20 0.44
AGTR1 P30556 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL24160883 0.91 MAPT (0.51) ATMMAPTNPC1RAB9AHPGD
SCHEMBL10049648 0.82 ITGA4 (0.43) TNKS2MAPTMAOAKMT2AAKR1B1
SCHEMBL29155428 0.82 MAPT (0.50) ATMMAPTNPC1RAB9AKMT2A
SCHEMBL30683800 0.82 MAPT (0.50) ATMMAPTNPC1RAB9AKMT2A
SCHEMBL11990851 0.81 ITGA4 (0.48) MAPTNPC1AKR1B1ALDH1A1CYP2C9
SCHEMBL18382550 0.80 AKR1B1 (0.40) MAPTNPC1RAB9ATP53HPGD
SCHEMBL10049655 0.79 KMT2A (0.50) MAPTSMN1; SMN2TP53HPGDKMT2A
SCHEMBL29508189 0.79 KMT2A (0.50) MAPTSMN1; SMN2TP53HPGDKMT2A
SCHEMBL22268171 0.78 TNKS2 (0.47) TNKS2MAPTNPC1RAB9ATP53
SCHEMBL13668299 0.77 AGTR1 (0.45) MAPTSMN1; SMN2HPGDKMT2AAKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017005682-A1 POLYCARBONATE COMPOSITIONS FOR GALVANIC APPLICATIONS HAVING A HIGH REQUIREMENT FOR HEAT DISTORTION POINT COVESTRO DEUTSCHLAND AG (DE) 2017-01-12 WO disclosed
WO-2017005677-A1 GALVANIZED COMPONENT WITH HIGH HEAT DISTORTION RESISTANCE COVESTRO DEUTSCHLAND AG (DE) 2017-01-12 WO disclosed
WO-2016087480-A1 COPOLYCARBONATE COMPOSITIONS WITH IMPROVED PROCESSING BEHAVIOUR CONTAINING PE-WAX COVESTRO DEUTSCHLAND AG (DE) 2016-06-09 WO disclosed