SCHEMBL7650679

SCHEMBL7650679

O=C1c2ccccc2CC1C1=Cc2ccccc2C1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.46
METAP1 P53582 4/20 0.40
CYP19A1 P11511 2/20 0.40
MAOA P21397 2/20 0.38
MAOB P27338 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
PTGS2 P35354 1/20 0.36
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GPR84 Q9NQS5 1/20 0.36

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
SCHEMBL2345374 0.72 ACHE (0.55) ACHEMETAP1CYP19A1SIGMAR1
SCHEMBL30785363 0.72 ACHE (0.55) ACHEMETAP1CYP19A1SIGMAR1
SCHEMBL29922862 0.71 KDM4E (0.44) ACHEMAOAMAOBPTGS2KDM4E
SCHEMBL16393588 0.71 KDM4E (0.44) ACHEMAOAMAOBPTGS2KDM4E
SCHEMBL2920960 0.70 CYP19A1 (0.56) ACHEMETAP1CYP19A1MAOBKDM4E
Benzene SCHEMBL28074857 0.70 KDM4E (0.42) ACHEMAOAMAOBPTGS2KDM4E
SCHEMBL7118363 0.67 ADRA1A (0.43) SIGMAR1
SCHEMBL8001882 0.67 RAB9A (0.53) ACHEMETAP1CYP19A1SIGMAR1KDM4E
SCHEMBL13176510 0.67 KDM4E (0.53) ACHEMETAP1CYP19A1KDM4EL3MBTL1
SCHEMBL19748752 0.67 CYP19A1 (0.56) ACHEMETAP1CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6433021-B1 ANTIINFLAMMATORY AGENTS; MAST CELL STABILIZERS VENANTIUS LIMITED (IL) 2002-08-13 US disclosed