SCHEMBL8772584

SCHEMBL8772584

C=CCc1c(O)ccc(C(=O)O)c1C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 1/20 0.39
CSNK2A1 P68400 1/20 0.38
KDM4E B2RXH2 2/20 0.37
GAA P10253 2/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SELL P14151 1/20 0.37
SELP P16109 1/20 0.37
PTPN1 P18031 4/20 0.36
PTPN2 P17706 1/20 0.36
PTPN6 P29350 1/20 0.36
RXRA P19793 1/20 0.35
SLC22A6 Q4U2R8 1/20 0.35
SLC22A8 Q8TCC7 1/20 0.35
MTNR1A P48039 1/20 0.35
MEN1 O00255 2/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 2/20 0.35
KMT2A Q03164 2/20 0.35

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
SCHEMBL8772614 0.81 SLC22A6 (0.44) SRD5A1CSNK2A1KDM4EGAATSHR
SCHEMBL10693944 0.80 SRD5A1 (0.45) SRD5A1KDM4EGAATSHRSMN1; SMN2
SCHEMBL2925754 0.79 SELL (0.52) SRD5A1KDM4EGAATSHRSMN1; SMN2
SCHEMBL17818498 0.79 SRD5A1 (0.41) SRD5A1KDM4EGAATSHRSMN1; SMN2
SCHEMBL8772734 0.78 SRD5A1 (0.41) SRD5A1CSNK2A1KDM4EGAATSHR
SCHEMBL9747339 0.78 SRD5A1 (0.43) SRD5A1KDM4EGAATSHRSMN1; SMN2
SCHEMBL6526829 0.76 SELL (0.52) SRD5A1CSNK2A1KDM4EGAATSHR
SCHEMBL30065116 0.75 CSNK2A1 (0.48) CSNK2A1KDM4EGAATSHRSMN1; SMN2
SCHEMBL1271812 0.75 CSNK2A1 (0.48) CSNK2A1KDM4EGAATSHRSMN1; SMN2
SCHEMBL996835 0.74 CYP1A2 (0.44) SRD5A1KDM4EGAATSHRSMN1; SMN2

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