SCHEMBL8772571

SCHEMBL8772571

C=CCc1cc(C(=O)OCC)ccc1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
ALDH1A1 P00352 3/20 0.44
ELANE P08246 1/20 0.44
STS P08842 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.41
MAPK1 P28482 2/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
HSD17B2 P37059 1/20 0.40
LMNA P02545 2/20 0.39
HPGD P15428 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HSD17B10 Q99714 2/20 0.39
PPARG P37231 1/20 0.38

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
SCHEMBL4771232 0.88 ELANE (0.46) RAB9AALDH1A1ELANESTSL3MBTL1
SCHEMBL27546795 0.88 ELANE (0.42) SMN1; SMN2NPC1RAB9AALDH1A1ELANE
SCHEMBL8419572 0.86 ELANE (0.41) SMN1; SMN2ALDH1A1ELANEL3MBTL1MAPK1
SCHEMBL14421954 0.85 NPC1 (0.47) SMN1; SMN2NPC1RAB9AALDH1A1STS
SCHEMBL7510046 0.84 PTPN1 (0.44) SMN1; SMN2ALDH1A1ELANESTSCA12
SCHEMBL227343 0.81 RAB9A (0.50) SMN1; SMN2NPC1RAB9AALDH1A1STS
SCHEMBL8418566 0.81 FDFT1 (0.45) SMN1; SMN2ALDH1A1L3MBTL1MAPK1LMNA
SCHEMBL9082761 0.81 KDM4E (0.41) SMN1; SMN2ALDH1A1L3MBTL1MAPK1LMNA
SCHEMBL4979174 0.80 HSD17B2 (0.57) SMN1; SMN2NPC1RAB9AALDH1A1ELANE
SCHEMBL24197027 0.80 NPC1 (0.49) SMN1; SMN2NPC1RAB9AALDH1A1STS

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
US-5691349-A ANTICHOLESTEROL AGENTS; ATHEROSCLEROSIS ZENECA LIMITED (GB) 1997-11-25 US disclosed
EP-0654032-B1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS ZENECA LTD (GB) 1997-10-15 EP disclosed
EP-0654032-A1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS. ZENECA LTD (GB) 1995-05-24 EP disclosed
WO-1994003451-A1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS ZENECA LIMITED (GB) 1994-02-17 WO disclosed