SCHEMBL7901469

SCHEMBL7901469

CC(C)(C)c1cc(-n2nc3ccc(F)cc3n2)c(O)c(C(C)(C)c2ccccc2)c1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
POLB P06746 1/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 2/20 0.33
TP53 P04637 1/20 0.33
ALOX5 P09917 1/20 0.33
PTGS2 P35354 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
DHODH Q02127 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
TNKS O95271 1/20 0.30
PARP1 P09874 1/20 0.30
TNKS2 Q9H2K2 1/20 0.30

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
SCHEMBL29353849 0.94 NPC1 (0.37) NPC1RAB9APOLBLMNACYP3A4
SCHEMBL769514 0.94 NPC1 (0.37) NPC1RAB9APOLBLMNACYP3A4
SCHEMBL1499910 0.89 NPC1 (0.45) NPC1RAB9APOLBLMNACYP3A4
SCHEMBL5834165 0.88 NPC1 (0.33) NPC1RAB9APOLBLMNA
SCHEMBL5834029 0.88 PTGS2 (0.38) NPC1RAB9APOLBLMNACYP3A4
SCHEMBL769171 0.88 NPC1 (0.36) NPC1RAB9APOLBLMNACYP3A4
SCHEMBL29358608 0.88 NPC1 (0.36) NPC1RAB9APOLBLMNACYP3A4
SCHEMBL7901461 0.86 NPC1 (0.41) NPC1RAB9APOLBLMNACYP3A4
SCHEMBL30423445 0.86 NPC1 (0.35) NPC1RAB9APOLBLMNACYP3A4
SCHEMBL5834169 0.85 CNR1 (0.37) NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6268415-B1 POLYMERS AND STABILIZERS FOR ENHANCED STABILITY CIBA SPECIALTY CHEMICALS CORPORATION 2001-07-31 US claimed
US-6268415-B1 POLYMERS AND STABILIZERS FOR ENHANCED STABILITY CIBA SPECIALTY CHEMICALS CORPORATION 2001-07-31 US disclosed
US-6268415-B1 POLYMERS AND STABILIZERS FOR ENHANCED STABILITY CIBA SPECIALTY CHEMICALS CORPORATION 2001-07-31 US disclosed
US-6187845-B1 LAMINATION OR MULTILAYER STRUCTURE CIBA SPECIALTY CHEMICALS CORPORATION 2001-02-13 US disclosed