SCHEMBL9769845

SCHEMBL9769845

OCC(=C(c1ccc(F)cc1)c1ccc(F)cc1)n1cnnn1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.43
ALDH1A1 P00352 2/20 0.39
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
USP2 O75604 1/20 0.34
MAPK1 P28482 1/20 0.34
ATM Q13315 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
LMNA P02545 2/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
RCE1 Q9Y256 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MAPT P10636 2/20 0.32
KCNJ1 P48048 1/20 0.31
DPP4 P27487 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
SCHEMBL9769877 0.86 HMGCR (0.42) HMGCRALDH1A1RAB9ANPC1USP2
SCHEMBL9769903 0.81 HMGCR (0.42) HMGCRALDH1A1RAB9ANPC1USP2
SCHEMBL9769825 0.77 HMGCR (0.39) HMGCRALDH1A1RAB9ANPC1USP2
SCHEMBL9769832 0.74 HMGCR (0.45) HMGCRALDH1A1RAB9ANPC1ATM
SCHEMBL9769859 0.74 HMGCR (0.53) HMGCRALDH1A1RAB9ANPC1USP2
SCHEMBL9769860 0.70 HMGCR (0.42) HMGCRALDH1A1RAB9ANPC1MAPK1
SCHEMBL9769899 0.70 HMGCR (0.54) HMGCRALDH1A1RAB9ANPC1ATM
SCHEMBL9769886 0.70 HMGCR (0.45) HMGCRALDH1A1RAB9AUSP2LMNA
SCHEMBL9769780 0.68 HMGCR (0.39) HMGCRALDH1A1RAB9ANPC1USP2
SCHEMBL9769894 0.66 ALDH1A1 (0.43) HMGCRALDH1A1NPC1LMNAGAA

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