SCHEMBL9726579

SCHEMBL9726579

Cn1nnnc1C(CO[PH](=O)OCC(=C(c1ccc(F)cc1)c1ccc(F)cc1)c1nnnn1C)=C(c1ccc(F)cc1)c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.43
ALDH1A1 P00352 2/20 0.39
USP2 O75604 1/20 0.35
HSD17B10 Q99714 1/20 0.35
RAB9A P51151 2/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
NPC1 O15118 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL9726582 0.92 HMGCR (0.42) HMGCRALDH1A1USP2HSD17B10RAB9A
SCHEMBL9726535 0.80 HMGCR (0.46) HMGCRALDH1A1USP2HSD17B10RAB9A
SCHEMBL9235124 0.80 HMGCR (0.46) HMGCRALDH1A1USP2HSD17B10RAB9A
SCHEMBL9726875 0.79 HMGCR (0.45) HMGCRALDH1A1USP2HSD17B10RAB9A
SCHEMBL9233023 0.78 HMGCR (0.44) HMGCRALDH1A1USP2HSD17B10RAB9A
SCHEMBL10610769 0.75 HMGCR (0.40) HMGCRALDH1A1USP2HSD17B10
SCHEMBL9235476 0.73 HMGCR (0.46) HMGCRALDH1A1USP2HSD17B10RAB9A
SCHEMBL10527444 0.72 HMGCR (0.45) HMGCRALDH1A1USP2HSD17B10RAB9A
SCHEMBL10610763 0.71 HMGCR (0.40) HMGCRALDH1A1USP2HSD17B10
Bromide SCHEMBL9726632 0.71 HMGCR (0.44) HMGCRALDH1A1

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 7 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-4898949-A Intermediates for the preparation of antihypercholesterolemic tetrazole compounds BRISTOL-MYERS COMPANY (US) 1990-02-06 US disclosed
US-4898950-A 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
US-4824959-A Intermediates for antihypercholesterolemic tetrazole compounds BRISTOL-MYERS COMPANY (US) 1989-04-25 US disclosed
WO-1988006584-A1 ANTIHYPERCHOLESTEROLEMIC TETRAZOLE COMPOUNDS BRISTOL-MYERS COMPANY (US) 1988-09-07 WO disclosed