SCHEMBL8772734

SCHEMBL8772734

C=CCc1c(O)ccc(C(=O)O)c1CC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 1/20 0.41
PLA2G2A P14555 1/20 0.40
SLC22A6 Q4U2R8 1/20 0.40
SLC22A8 Q8TCC7 1/20 0.40
SELL P14151 1/20 0.39
SELP P16109 1/20 0.39
MTNR1A P48039 1/20 0.39
KDM4E B2RXH2 2/20 0.39
GAA P10253 2/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
XDH P47989 1/20 0.36
CSNK2A1 P68400 1/20 0.36

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
SCHEMBL10693944 0.90 SRD5A1 (0.45) SRD5A1SLC22A6SLC22A8SELLSELP
SCHEMBL542401 0.84 SELL (0.48) SELLSELPKDM4EGAATSHR
SCHEMBL31668786 0.84 SELL (0.48) SELLSELPKDM4EGAATSHR
SCHEMBL8772614 0.83 SLC22A6 (0.44) SRD5A1PLA2G2ASLC22A6SLC22A8SELL
SCHEMBL9623697 0.83 MTNR1A (0.37) SRD5A1PLA2G2ASLC22A6SLC22A8MTNR1A
SCHEMBL28274016 0.82 SRD5A1 (0.46) SRD5A1PLA2G2AMTNR1AKDM4EGAA
SCHEMBL2925754 0.81 SELL (0.52) SRD5A1SLC22A6SLC22A8SELLSELP
SCHEMBL6526829 0.81 SELL (0.52) SRD5A1SLC22A6SLC22A8SELLSELP
SCHEMBL996835 0.80 CYP1A2 (0.44) SRD5A1SELLSELPKDM4EGAA
SCHEMBL9747339 0.80 SRD5A1 (0.43) SRD5A1PLA2G2ASLC22A6SLC22A8SELL

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