SCHEMBL6536025

SCHEMBL6536025

COC1(C(F)(F)F)CC(C=O)=C(c2ccccc2)C=C1O

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 3/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
CYP2C9 P11712 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
SCHEMBL6536043 0.88
SCHEMBL6535990 0.75
SCHEMBL6535969 0.75
SCHEMBL6536086 0.75 USP2 (0.30) MAPK1
SCHEMBL28988468 0.74 NPC1 (0.34) NPC1CYP1A2CYP2C19RAB9ASMN1; SMN2
SCHEMBL6536039 0.72 ERN1 (0.35) CYP1A2CYP2C19LMNACYP2C9
SCHEMBL27525588 0.68 NPC1 (0.34) NPC1CYP1A2CYP2C19RAB9ASMN1; SMN2
SCHEMBL6219886 0.67 BACE1 (0.31)
SCHEMBL27826598 0.65
SCHEMBL27525618 0.63 HK2 (0.39) NPC1CYP1A2CYP2C19RAB9ASMN1; SMN2

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
EP-1425015-A4 TETRAHYDROQUINOLINE DERIVATIVES AS ANTITHROMBOTIC AGENTS BRISTOL MYERS SQUIBB CO (US) 2004-12-15 EP disclosed
EP-1425015-A2 TETRAHYDROQUINOLINE DERIVATIVES AS ANTITHROMBOTIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-06-09 EP disclosed
WO-2003015715-A2 TETRAHYDROQUINOLINE DERIVATIVES AS ANTITHROMBOTIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-02-27 WO disclosed