SCHEMBL9726690

SCHEMBL9726690

Cn1nnnc1/C(C=O)=C(/c1ccccc1)c1ccc(F)cc1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.52
HSD11B1 P28845 1/20 0.37
PKM P14618 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MGAM O43451 1/20 0.34
AMY1A P0DUB6 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34

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
SCHEMBL9726705 1.00 HMGCR (0.52) HMGCRHSD11B1PKMALDH1A1MGAM
SCHEMBL9726697 1.00 HMGCR (0.52) HMGCRHSD11B1PKMALDH1A1MGAM
SCHEMBL9726533 0.95 HMGCR (0.55) HMGCRALDH1A1
SCHEMBL9726944 0.92 HMGCR (0.42) HMGCRHSD11B1ALDH1A1GAA
SCHEMBL9727128 0.88 HMGCR (0.53) HMGCRHSD11B1ALDH1A1
SCHEMBL9727124 0.88 HMGCR (0.53) HMGCRHSD11B1ALDH1A1
SCHEMBL9726717 0.88 HMGCR (0.53) HMGCRHSD11B1ALDH1A1
SCHEMBL9726481 0.82 HMGCR (0.57) HMGCRALDH1A1
SCHEMBL9726476 0.82 HMGCR (0.57) HMGCRALDH1A1
SCHEMBL9799413 0.80 HMGCR (0.55) 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 8 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 claimed
WO-1988006584-A1 ANTIHYPERCHOLESTEROLEMIC TETRAZOLE COMPOUNDS BRISTOL-MYERS COMPANY (US) 1988-09-07 WO claimed
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