SCHEMBL9292245

SCHEMBL9292245

CC(C(c1ccccc1)c1cccc(C(F)(F)F)c1)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 2/20 0.50
▸ TDO2 P48775 2/20 0.50
▸ ACP3 P15309 2/20 0.49
▸ PNMT P11086 1/20 0.45
▸ ATM Q13315 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ DAO P14920 1/20 0.43
▸ HTR2A P28223 1/20 0.42
▸ HTR2C P28335 1/20 0.42
▸ HTR2B P41595 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ TSHR P16473 1/20 0.42
▸ CES2 O00748 1/20 0.42
▸ TACR1 P25103 1/20 0.41
▸ OPRM1 P35372 2/20 0.41
▸ OPRD1 P41143 2/20 0.41
▸ OPRK1 P41145 2/20 0.41
▸ OPRL1 P41146 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MEN1 O00255 1/20 0.41

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
SCHEMBL683709 0.86 IDO1 (0.53) IDO1TDO2ACP3PNMTATM
SCHEMBL8320392 0.83 IDO1 (0.50) IDO1TDO2ACP3PNMTATM
SCHEMBL19334644 0.80 PNMT (0.51) IDO1TDO2ACP3PNMTDAO
SCHEMBL686457 0.79 IDO1 (0.56) IDO1TDO2ACP3PNMTATM
SCHEMBL23021670 0.77 PNMT (0.57) IDO1TDO2ACP3PNMTATM
SCHEMBL10193784 0.77 HTR2A (0.58) IDO1TDO2ACP3PNMTDAO
SCHEMBL255035 0.76 PNMT (0.55) IDO1TDO2ACP3PNMTDAO
SCHEMBL2601113 0.76 DAO (0.59) IDO1TDO2ACP3PNMTDAO
SCHEMBL10913587 0.76 IDO1 (0.57) IDO1TDO2ACP3PNMTATM
SCHEMBL4135655 0.75 PNMT (0.59) IDO1TDO2ACP3PNMTL3MBTL1

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-5321000-A Benzhydryl compounds as herbicide antidotes MONSANTO COMPANY (US) 1994-06-14 — — US disclosed
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