SCHEMBL8417367

SCHEMBL8417367

CC(C)(C)c1ccccc1Nc1ccc(-c2ccc(Nc3ccccc3C(C)(C)C)c(-c3ccccc3)c2-c2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.42
FABP4 P15090 8/20 0.36
FABP3 P05413 4/20 0.33
FABP5 Q01469 2/20 0.33
P2RY1 P47900 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
AKR1C3 P42330 2/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
THRB P10828 1/20 0.33
ALOX12 P18054 1/20 0.33
MAPK13 O15264 1/20 0.32

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
SCHEMBL25502785 0.84 GAA (0.42) IDO1P2RY1ALDH1A1GRIN2DGRIN3B
SCHEMBL28793668 0.82 PTGER4 (0.42) IDO1P2RY1ALDH1A1GRIN2DGRIN3B
SCHEMBL6131762 0.82 FABP4 (0.43) FABP4FABP3FABP5ALDH1A1GAA
SCHEMBL31265542 0.79 ALDH1A1 (0.45) ALDH1A1AKR1C3GAATHRBALOX12
SCHEMBL3475626 0.79 FABP4 (0.45) FABP4FABP3FABP5ALDH1A1POLB
SCHEMBL6131761 0.79 HPGD (0.52) POLBGAANPC1RAB9APTGER4
SCHEMBL8417364 0.79 IDO1 (0.41) IDO1P2RY1ALDH1A1GRIN2DGRIN3B
SCHEMBL9408066 0.78 FABP4 (0.44) FABP4FABP3AKR1C3POLBNPC1
SCHEMBL8895701 0.78 RAB9A (0.41) FABP4FABP3FABP5ALDH1A1POLB
SCHEMBL8417151 0.78 PIK3CA (0.36) FABP4FABP3FABP5POLBMAPK13

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