SCHEMBL8417375

SCHEMBL8417375

CCCCc1ccccc1Nc1ccc(-c2ccc(Nc3ccccc3CCCC)cc2-c2ccccc2)c(-c2ccccc2)c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 4/20 0.37
PSMB5 P28074 1/20 0.36
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
AURKA O14965 1/20 0.33
KDR P35968 1/20 0.33
AURKB Q96GD4 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
APP P05067 1/20 0.33
LIPG Q9Y5X9 1/20 0.33

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
SCHEMBL8418765 0.92 SMN1; SMN2 (0.36) SOAT1CYP2C9APP
SCHEMBL8895693 0.85 RAB9A (0.43) APP
SCHEMBL14321012 0.82 CYP3A4 (0.42) CYP3A4CYP2D6CYP2C9APPLIPG
SCHEMBL8417377 0.81 SOAT1 (0.34) SOAT1PSMB5CYP3A4CYP2D6CYP2C9
SCHEMBL3145602 0.81 CYP3A4 (0.40) CYP3A4CYP2D6CYP2C9APPLIPG
SCHEMBL2539193 0.80 MAPT (0.44) CYP3A4CYP2D6CYP2C9LIPG
SCHEMBL7012332 0.78 NPC1 (0.47) CYP3A4CYP2D6CYP2C9CNR1CNR2
SCHEMBL30801635 0.77 APP (0.40) CYP3A4APP
SCHEMBL14785273 0.77 CYP3A4 (0.46) CYP3A4CYP2D6CYP2C9LIPG
SCHEMBL11636131 0.76 MAPT (0.50) CYP3A4CYP2D6CYP2C9LIPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0597128-B1 ESTER POLYMER, PRODUCTION THEREOF, AND ELECTROPHOTOGRAPHIC PHOTORECEPTOR MADE THEREFROM IDEMITSU KOSAN CO (JP) 1999-09-15 EP disclosed
EP-0582722-B1 ELECTROPHOTOGRAPHIC PHOTORECEPTOR MADE FROM POLYCARBONATE POLYMER IDEMITSU KOSAN CO (JP) 1997-11-12 EP disclosed
EP-0411192-B1 Electrophotographic photoreceptor IDEMITSU KOSAN CO (JP) 1995-06-07 EP disclosed
EP-0597128-A1 ESTER POLYMER, PRODUCTION THEREOF, AND ELECTROPHOTOGRAPHIC PHOTORECEPTOR MADE THEREFROM IDEMITSU KOSAN COMPANY LIMITED (JP) 1994-05-18 EP disclosed
EP-0582722-A1 POLYCARBONATE POLYMER, PRODUCTION THEREOF, AND ELECTROPHOTOGRAPHIC PHOTORECEPTOR MADE THEREFROM IDEMITSU KOSAN COMPANY LIMITED (JP) 1994-02-16 EP disclosed
EP-0411192-A1 Electrophotographic photoreceptor IDEMITSU KOSAN COMPANY LIMITED (JP) 1991-02-06 EP disclosed