SCHEMBL9726576

SCHEMBL9726576

Cc1cc(F)ccc1C(=C(C=O)c1nnnn1C)c1ccc(F)cc1C

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.41
ALDH1A1 P00352 3/20 0.35
PKM P14618 1/20 0.35
NPSR1 Q6W5P4 1/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ESR1 P03372 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
SCHEMBL9726462 0.88 HMGCR (0.43) HMGCRALDH1A1PKMNPSR1NPC1
SCHEMBL9726457 0.88 HMGCR (0.43) HMGCRALDH1A1PKMNPSR1NPC1
SCHEMBL9726817 0.87 ALDH1A1 (0.39) HMGCRALDH1A1NPC1LMNARAB9A
SCHEMBL9726533 0.83 HMGCR (0.55) HMGCRALDH1A1LMNA
SCHEMBL9726571 0.82 HMGCR (0.35) HMGCRALDH1A1PKMNPC1LMNA
SCHEMBL9726563 0.80 HMGCR (0.44) HMGCR
SCHEMBL9726690 0.79 HMGCR (0.52) HMGCRALDH1A1PKM
SCHEMBL9726705 0.79 HMGCR (0.52) HMGCRALDH1A1PKM
SCHEMBL9726697 0.79 HMGCR (0.52) HMGCRALDH1A1PKM
SCHEMBL9726774 0.78 HMGCR (0.54) HMGCRALDH1A1PKM

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