SCHEMBL9769871

SCHEMBL9769871

O=CC=CC(=C(c1ccc(F)cc1)c1ccc(F)cc1)n1cnnn1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 2/20 0.54
ALDH1A1 P00352 2/20 0.35
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
KCNJ1 P48048 2/20 0.32
ATM Q13315 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL9769899 1.00 HMGCR (0.54) HMGCRALDH1A1RAB9ANPC1KCNJ1
SCHEMBL9769859 0.86 HMGCR (0.53) HMGCRALDH1A1RAB9ANPC1KCNJ1
SCHEMBL10548599 0.74 HMGCR (0.56) HMGCRALDH1A1LMNAGAATSHR
SCHEMBL9769863 0.74 HMGCR (0.56) HMGCRALDH1A1LMNAGAATSHR
SCHEMBL9769881 0.73 HMGCR (0.82) HMGCR
SCHEMBL9769814 0.73 HMGCR (0.82) HMGCR
SCHEMBL9769896 0.73 HMGCR (0.82) HMGCR
SCHEMBL9769801 0.73 HMGCR (0.82) HMGCR
SCHEMBL9769832 0.71 HMGCR (0.45) HMGCRALDH1A1RAB9ANPC1KCNJ1
SCHEMBL10554642 0.71 HMGCR (0.46) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5070206-A INHIBITORS OF 3-HYDROXY-3-METHYLGLUTARYL COENZYME A REDUCTASE; ANTICHOLESTEROL, ANTILIPEMIC BRISTOL-MYERS COMPANY (US) 1991-12-03 US disclosed
US-5010205-A Antihypercholesterolemic tetrazol-1-yl intermediates BRISTOL-MYERS COMPANY (US) 1991-04-23 US disclosed
EP-0355820-A1 Antihypercholesterolemic tetrazol-1-yl compounds Bristol-Myers Squibb Company (US) 1990-02-28 EP disclosed
US-4870187-A ANTILIPEMIC, ATHEROSCLEROSIS BRISTOL-MYERS COMPANY (US) 1989-09-26 US disclosed