SCHEMBL8376202

SCHEMBL8376202

[O]C(c1ccccc1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACP3 P15309 3/20 0.58
▸ IDO1 P14902 2/20 0.56
▸ TDO2 P48775 2/20 0.56
▸ CES2 O00748 2/20 0.50
▸ PNMT P11086 1/20 0.50
▸ ALDH1A1 P00352 2/20 0.48
▸ TSHR P16473 1/20 0.48
▸ MAPT P10636 2/20 0.48
▸ HTT P42858 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ XBP1 P17861 1/20 0.48
▸ S1PR3 Q99500 1/20 0.48
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ OPRM1 P35372 2/20 0.44
▸ OPRD1 P41143 2/20 0.44
▸ OPRK1 P41145 2/20 0.44

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
SCHEMBL7523154 0.81 IDO1 (0.56) ACP3IDO1TDO2CES2PNMT
SCHEMBL13357679 0.80 IDO1 (0.59) ACP3IDO1TDO2CES2PNMT
SCHEMBL5848264 0.80 PNMT (0.53) ACP3IDO1TDO2CES2PNMT
SCHEMBL156737 0.78 DAO (0.53) ACP3IDO1TDO2CES2PNMT
SCHEMBL7436009 0.78 CES2 (0.55) ACP3IDO1TDO2CES2PNMT
SCHEMBL30015679 0.78 CES2 (0.55) ACP3IDO1TDO2CES2PNMT
SCHEMBL4429682 0.78 PNMT (0.55) ACP3IDO1TDO2CES2PNMT
SCHEMBL30705300 0.78 PNMT (0.55) ACP3IDO1TDO2CES2PNMT
SCHEMBL474177 0.78 PNMT (0.55) ACP3IDO1TDO2CES2PNMT
SCHEMBL4086256 0.77 PNMT (0.58) ACP3IDO1TDO2CES2PNMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0565593-B1 REDUCING PESTICIDAL INTERACTIONS IN CROPS MONSANTO CO (US) 1999-03-03 — — EP claimed
EP-0603240-A1 SAFENING HERBICIDAL PYRAZOLYLSULFONYLURES MONSANTO COMPANY (US) 1994-06-29 — — EP claimed
EP-0531271-A1 Safening herbicidal pyrazolysulfonylureas MONSANTO COMPANY (US) 1993-03-10 — — EP claimed
WO-1993003615-A1 SAFENING HERBICIDAL PYRAZOLYLSULFONYLURES MONSANTO COMPANY (US) 1993-03-04 — — WO claimed
US-5484760-A AMIDES MONSANTO COMPANY (US) 1996-01-16 — — US disclosed
EP-0603240-A1 SAFENING HERBICIDAL PYRAZOLYLSULFONYLURES MONSANTO COMPANY (US) 1994-06-29 — — EP disclosed
EP-0565593-A1 REDUCING PESTICIDAL INTERACTIONS IN CROPS MONSANTO COMPANY (US) 1993-10-20 — — EP disclosed
WO-1993003615-A1 SAFENING HERBICIDAL PYRAZOLYLSULFONYLURES MONSANTO COMPANY (US) 1993-03-04 — — WO disclosed
WO-1992011761-A1 REDUCING PESTICIDAL INTERACTIONS IN CROPS MONSANTO COMPANY (US) 1992-07-23 — — WO disclosed
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