SCHEMBL6578769

SCHEMBL6578769

CCOC(=O)c1c(F)c(F)c(F)c(F)c1C(=O)OCC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.53
RAB9A P51151 3/20 0.53
NPSR1 Q6W5P4 3/20 0.53
TP53 P04637 2/20 0.53
NPC1 O15118 2/20 0.53
HSD17B10 Q99714 2/20 0.53
MITF O75030 1/20 0.53
RECQL P46063 1/20 0.53
ALDH1A1 P00352 5/20 0.52
HPGD P15428 4/20 0.52
GAA P10253 3/20 0.52
MAPT P10636 3/20 0.52
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
TDP1 Q9NUW8 2/20 0.50
HTT P42858 1/20 0.50

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
SCHEMBL196046 0.95 ESR1 (0.53) SMN1; SMN2RAB9ANPSR1TP53NPC1
SCHEMBL522219 0.93 ESR1 (0.52) SMN1; SMN2RAB9ANPSR1TP53NPC1
SCHEMBL522227 0.93 ESR1 (0.55) SMN1; SMN2RAB9ANPSR1TP53NPC1
SCHEMBL9618504 0.92 SMN1; SMN2 (0.47) SMN1; SMN2RAB9ANPSR1TP53NPC1
Alcohol SCHEMBL28160506 0.91 SMN1; SMN2 (0.50) SMN1; SMN2RAB9ANPSR1TP53NPC1
SCHEMBL2458847 0.85 ESR1 (0.49) SMN1; SMN2RAB9ANPSR1TP53NPC1
SCHEMBL2454093 0.85 ESR1 (0.68) SMN1; SMN2RAB9ANPSR1TP53NPC1
SCHEMBL522265 0.85 ALDH1A1 (0.49) SMN1; SMN2RAB9ANPSR1TP53NPC1
SCHEMBL2451516 0.84 SMN1; SMN2 (0.45) SMN1; SMN2RAB9ANPSR1TP53NPC1
SCHEMBL18774743 0.84 HPGD (0.55) SMN1; SMN2RAB9ANPSR1TP53NPC1

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
US-5856557-A Process for producing hexafluorobiphenyl -3,3',4,4'-Tetracarboxylic acid precursors UBE INDUSTRIES, LTD. (JP) 1999-01-05 US claimed
US-20170255100-A1 DRY FILM STRUCTURE FUJIFILM ELECTRONIC MATERIALS U.S.A., INC. 2017-09-07 US disclosed
EP-0897919-B1 NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF AND ANTIBACTERIAL AGENTS CONTAINING THE SAME AS THE ACTIVE INGREDIENT WAKUNAGA PHARMA CO LTD (JP) 2004-06-16 EP disclosed
US-6211375-B1 IMPROVED INTESTINAL ABSORPTION WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2001-04-03 US disclosed
EP-0897919-A1 NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF AND ANTIBACTERIAL AGENTS CONTAINING THE SAME AS THE ACTIVE INGREDIENT WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 1999-02-24 EP disclosed
US-5856557-A Process for producing hexafluorobiphenyl -3,3',4,4'-Tetracarboxylic acid precursors UBE INDUSTRIES, LTD. (JP) 1999-01-05 US disclosed