SCHEMBL9726485

SCHEMBL9726485

COc1ccc(C(=C(/C=C/C(O)CC(=O)CC(=O)O)c2nnnn2C)c2ccc(OC)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.54
ALDH1A1 P00352 2/20 0.42
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ERCC5 P28715 1/20 0.39
FEN1 P39748 1/20 0.39

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
SCHEMBL9726496 1.00 HMGCR (0.54) HMGCRALDH1A1RAB9ASMN1; SMN2ERCC5
SCHEMBL9799162 0.90 HMGCR (0.51) HMGCRALDH1A1RAB9ASMN1; SMN2
SCHEMBL9799166 0.90 HMGCR (0.51) HMGCRALDH1A1RAB9ASMN1; SMN2
SCHEMBL9726842 0.88 HMGCR (0.68) HMGCR
SCHEMBL9726764 0.88 HMGCR (0.68) HMGCR
SCHEMBL9726845 0.88 HMGCR (0.68) HMGCR
SCHEMBL9726760 0.88 HMGCR (0.68) HMGCR
SCHEMBL10425124 0.87 HMGCR (0.65) HMGCRALDH1A1RAB9ASMN1; SMN2
Water SCHEMBL10608451 0.87 HMGCR (0.64) HMGCRALDH1A1RAB9ASMN1; SMN2
SCHEMBL9726562 0.85 HMGCR (0.65) HMGCR

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-5110940-A Inhibitors of 3-hydroxy-3-methylglutaryl coenzyme A reductase BRISTOL-MYERS COMPANY (US) 1992-05-05 US disclosed
US-5068346-A Anticholesterol agents BRISTOL-MYERS COMPANY (US) 1991-11-26 US disclosed
US-4939265-A Intermediates and process for the preparation of antihypercholesterolemic tetrazole compounds BRISTOL-MYERS COMPANY (US) 1990-07-03 US disclosed
US-4898949-A Intermediates for the preparation of antihypercholesterolemic tetrazole compounds BRISTOL-MYERS COMPANY (US) 1990-02-06 US disclosed
US-4897490-A DERIVATIVES OF BETA-HYDROXY,OMEGA-DIPHENYL,TETRAZOL-5-YL ALK-OMEGA-ENOIC ACID, ESTER OR LACTONE BRISTOL-MEYERS COMPANY (US) 1990-01-30 US disclosed
WO-1988006584-A1 ANTIHYPERCHOLESTEROLEMIC TETRAZOLE COMPOUNDS BRISTOL-MYERS COMPANY (US) 1988-09-07 WO disclosed