SCHEMBL7596432

SCHEMBL7596432

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SERPINE1 P05121 2/20 0.41
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ MMP1 P03956 1/20 0.36
▸ MMP2 P08253 1/20 0.36
▸ MMP9 P14780 1/20 0.36
▸ MMP12 P39900 1/20 0.36
▸ HTR3A P46098 4/20 0.36
▸ TP53 P04637 2/20 0.34
▸ PTPN2 P17706 2/20 0.34
▸ PTPN1 P18031 2/20 0.34
▸ PTPRF P10586 1/20 0.34
▸ ADORA2B P29275 1/20 0.33
▸ PLAT P00750 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ ATM Q13315 1/20 0.33

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
SCHEMBL7593192 0.97 NPC1 (0.39) SERPINE1MEN1KMT2ANPC1RAB9A
SCHEMBL7596804 0.95 NPC1 (0.41) SERPINE1MEN1KMT2ANPC1RAB9A
SCHEMBL7593244 0.94 SERPINE1 (0.44) SERPINE1MEN1KMT2ANPC1RAB9A
SCHEMBL7595670 0.80 SERPINE1 (0.39) SERPINE1MEN1KMT2ANPC1RAB9A
SCHEMBL16717449 0.78 PTGS1 (0.42) SERPINE1MEN1KMT2ANPC1RAB9A
SCHEMBL7589538 0.77 MEN1 (0.40) SERPINE1MEN1KMT2ANPC1RAB9A
SCHEMBL7593299 0.76 NPC1 (0.42) SERPINE1MEN1KMT2ANPC1RAB9A
SCHEMBL24974632 0.74 CES2 (0.50) SERPINE1MEN1KMT2ANPC1RAB9A
SCHEMBL7595029 0.74 SOS1 (0.49) KMT2ATDP1ATM
SCHEMBL7592464 0.73 SERPINE1 (0.41) SERPINE1MEN1KMT2ANPC1RAB9A

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 4 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 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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