SCHEMBL3722165

SCHEMBL3722165

Cc1ccccc1-c1c2ccccc2c(-c2ccccc2C)c2c(-c3ccccc3C)c3ccccc3c(-c3ccccc3C)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.43
CYP2A6 P11509 2/20 0.43
TSHR P16473 2/20 0.43
ACHE P22303 1/20 0.43
BRD4 O60885 1/20 0.42
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
CASP3 P42574 1/20 0.41
RAB9A P51151 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
ADORA2A P29274 1/20 0.40
MAPK14 Q16539 1/20 0.39
KIF11 P52732 1/20 0.39
MAPT P10636 2/20 0.38
KDM4E B2RXH2 2/20 0.38
PABPC1 P11940 1/20 0.38
CYP2D6 P10635 2/20 0.38

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
SCHEMBL7123301 0.90 CYP1A2 (0.48) CYP1A2CYP2A6TSHRACHEBRD4
SCHEMBL3731388 0.82 ALDH1A1 (0.50) CYP1A2CYP2A6TSHRBRD4ALDH1A1
SCHEMBL21224352 0.79 ACHE (0.45) CYP1A2CYP2A6TSHRACHEBRD4
SCHEMBL18568466 0.79 BRD4 (0.39) CYP1A2CYP2A6TSHRACHEBRD4
SCHEMBL18627755 0.78 MAPK14 (0.45) CYP1A2CYP2A6TSHRACHEBRD4
SCHEMBL1103259 0.76 CDK4 (0.42) CYP1A2TSHRADORA2AKDM4ECYP2D6
SCHEMBL1133067 0.76 MYC (0.56) CYP1A2CYP2A6TSHRACHEALDH1A1
SCHEMBL22355589 0.75 MAPT (0.40) CYP1A2CYP2A6TSHRBRD4ALDH1A1
SCHEMBL8865515 0.75 CYP1A2 (0.52) CYP1A2CYP2A6TSHRBRD4ALDH1A1
SCHEMBL19608971 0.74 PADI4 (0.42) CYP1A2CYP2A6TSHRBRD4ALDH1A1

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
US-20070141747-A1 Electronic device fabrication process XEROX CORPORATION 2007-06-21 US claimed
US-7651885-B2 Electronic device fabrication process XEROX CORPORATION (US) 2010-01-26 US disclosed
US-20070141747-A1 Electronic device fabrication process XEROX CORPORATION 2007-06-21 US disclosed