SCHEMBL7593360

SCHEMBL7593360

O=C(OC1CCC1)c1cc(C(F)(F)F)c(F)c(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GPR35 Q9HC97 3/20 0.39
▸ SERPINE1 P05121 2/20 0.37
▸ HTR3A P46098 4/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ MMP1 P03956 1/20 0.35
▸ MMP2 P08253 1/20 0.35
▸ MMP9 P14780 1/20 0.35
▸ MMP12 P39900 1/20 0.35
▸ CFTR P13569 1/20 0.35
▸ ATF1 P18846 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ PLAT P00750 1/20 0.33
▸ PDE4D Q08499 1/20 0.32
▸ TAS1R3 Q7RTX0 2/20 0.32
▸ TAS1R1 Q7RTX1 2/20 0.32
▸ TAS1R2 Q8TE23 2/20 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
SCHEMBL7590506 0.97 GPR35 (0.39) GPR35SERPINE1HTR3AMEN1KMT2A
SCHEMBL7592477 0.96 NPC1 (0.40) GPR35MEN1KMT2ANPC1RAB9A
SCHEMBL7590157 0.94 SERPINE1 (0.39) GPR35SERPINE1HTR3AMEN1KMT2A
SCHEMBL7595670 0.79 SERPINE1 (0.39) SERPINE1HTR3AMEN1KMT2ANPC1
SCHEMBL7589538 0.76 MEN1 (0.40) SERPINE1MEN1KMT2ANPC1RAB9A
SCHEMBL7593299 0.75 NPC1 (0.42) SERPINE1MEN1KMT2ANPC1RAB9A
SCHEMBL7595297 0.74 CFTR (0.50) CFTR
SCHEMBL24974632 0.73 CES2 (0.50) SERPINE1MEN1KMT2ANPC1RAB9A
SCHEMBL7592464 0.72 SERPINE1 (0.41) SERPINE1HTR3AMEN1KMT2ANPC1
SCHEMBL7591648 0.72 AR (0.37) CFTRNFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0968994-B1 PROCESS FOR PRODUCING SUBSTITUTED TRIFLUOROBENZOIC ACIDS AND ESTERS THEREOF UBE INDUSTRIES (JP) 2002-11-06 — — EP claimed
EP-0968994-A1 SUBSTITUTED TRIFLUOROBENZOIC ACIDS, ESTERS THEREOF, AND PROCESS FOR PRODUCING THE SAME UBE INDUSTRIES, LTD. (JP) 2000-01-05 — — EP claimed
EP-0968994-B1 PROCESS FOR PRODUCING SUBSTITUTED TRIFLUOROBENZOIC ACIDS AND ESTERS THEREOF UBE INDUSTRIES (JP) 2002-11-06 — — EP disclosed
US-6307091-B1 TRIFLUOROMETHYLATING A TRIFLUOROIODOBENZOIC ACID ESTER WITH ADIFLUORO(FLUOROSULFONYL)ACETIC ACID ESTER IN THE PRESENCE OF A COPPER CATALYST IN AN ORGANIC SOLVENT. UBE INDUSTRIES, LTD. (JP) 2001-10-23 — — US disclosed
US-6160171-A Trifluoro-substituted benzoic acid, esters thereof, and process for producing the same UBE INDUSTRIES, LTD. (JP) 2000-12-12 — — US disclosed
EP-0968994-A1 SUBSTITUTED TRIFLUOROBENZOIC ACIDS, ESTERS THEREOF, AND PROCESS FOR PRODUCING THE SAME UBE INDUSTRIES, LTD. (JP) 2000-01-05 — — EP disclosed
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