SCHEMBL7592477

SCHEMBL7592477

O=C(OC1CCCCC1)c1cc(C(F)(F)F)c(F)c(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ GPR35 Q9HC97 3/20 0.40
▸ MMP9 P14780 2/20 0.37
▸ MMP12 P39900 2/20 0.37
▸ MMP1 P03956 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ ATF1 P18846 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ MMP2 P08253 1/20 0.36
▸ STS P08842 3/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ EPHX2 P34913 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.34
▸ CFTR P13569 1/20 0.34

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 0.99 GPR35 (0.39) NPC1RAB9AMEN1KMT2AGPR35
SCHEMBL7593360 0.96 GPR35 (0.39) NPC1RAB9AMEN1KMT2AGPR35
SCHEMBL7590157 0.93 SERPINE1 (0.39) NPC1RAB9AMEN1KMT2AGPR35
SCHEMBL7593299 0.79 NPC1 (0.42) NPC1RAB9AMEN1KMT2AMMP9
SCHEMBL7589538 0.78 MEN1 (0.40) NPC1RAB9AMEN1KMT2AMMP9
SCHEMBL828645 0.76 NPC1 (0.54) NPC1RAB9AMEN1KMT2AMMP9
SCHEMBL7595670 0.75 SERPINE1 (0.39) NPC1RAB9AMEN1KMT2AMMP9
SCHEMBL7596804 0.72 NPC1 (0.41) NPC1RAB9AMEN1KMT2AMMP9
SCHEMBL7591648 0.71 AR (0.37) NFKB1LMNACFTR
SCHEMBL7592464 0.71 SERPINE1 (0.41) NPC1RAB9AMEN1KMT2ASMN1; 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 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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