SCHEMBL7589538

SCHEMBL7589538

O=C(OC1CCCC1)c1cc(I)c(F)c(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ PTPN2 P17706 2/20 0.38
▸ PTPN1 P18031 2/20 0.38
▸ PTPRF P10586 1/20 0.38
▸ MMP9 P14780 3/20 0.36
▸ MMP12 P39900 3/20 0.36
▸ MMP1 P03956 2/20 0.36
▸ SERPINE1 P05121 2/20 0.36
▸ STS P08842 4/20 0.35
▸ MMP2 P08253 2/20 0.35
▸ TP53 P04637 2/20 0.35
▸ CYP19A1 P11511 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ SLC6A3 Q01959 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
SCHEMBL7593299 0.98 NPC1 (0.42) MEN1NPC1RAB9AKMT2APTPN2
SCHEMBL7595670 0.97 SERPINE1 (0.39) MEN1NPC1RAB9AKMT2APTPN2
SCHEMBL7592464 0.94 SERPINE1 (0.41) MEN1NPC1RAB9AKMT2APTPN2
SCHEMBL7593192 0.80 NPC1 (0.39) MEN1NPC1RAB9AKMT2APTPN2
SCHEMBL7590506 0.79 GPR35 (0.39) MEN1NPC1RAB9AKMT2AMMP9
SCHEMBL7596804 0.79 NPC1 (0.41) MEN1NPC1RAB9AKMT2AMMP9
SCHEMBL7592477 0.78 NPC1 (0.40) MEN1NPC1RAB9AKMT2AMMP9
SCHEMBL7596432 0.77 SERPINE1 (0.41) MEN1NPC1RAB9AKMT2APTPN2
SCHEMBL7593360 0.76 GPR35 (0.39) MEN1NPC1RAB9AKMT2AMMP9
SCHEMBL828645 0.75 NPC1 (0.54) MEN1NPC1RAB9AKMT2AMMP9

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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