SCHEMBL9769903

SCHEMBL9769903

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

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.42
ALDH1A1 P00352 2/20 0.40
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
ATM Q13315 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
LMNA P02545 2/20 0.33
MAPT P10636 1/20 0.33
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.32
USP2 O75604 1/20 0.32
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
F2 P00734 1/20 0.31
PLAU P00749 1/20 0.31
KLKB1 P03952 1/20 0.31
ELANE P08246 1/20 0.31
KCNJ1 P48048 1/20 0.31
RCE1 Q9Y256 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
SCHEMBL9769825 0.85 HMGCR (0.39) HMGCRALDH1A1RAB9ANPC1ATM
SCHEMBL9769845 0.81 HMGCR (0.43) HMGCRALDH1A1RAB9ANPC1ATM
SCHEMBL9769877 0.80 HMGCR (0.42) HMGCRALDH1A1RAB9ANPC1ATM
SCHEMBL9769780 0.74 HMGCR (0.39) HMGCRALDH1A1RAB9ANPC1ATM
SCHEMBL9769832 0.71 HMGCR (0.45) HMGCRALDH1A1RAB9ANPC1ATM
SCHEMBL9769859 0.71 HMGCR (0.53) HMGCRALDH1A1RAB9ANPC1ATM
SCHEMBL9769860 0.68 HMGCR (0.42) HMGCRALDH1A1RAB9ANPC1ATM
SCHEMBL9769899 0.68 HMGCR (0.54) HMGCRALDH1A1RAB9ANPC1ATM
SCHEMBL9233023 0.66 HMGCR (0.44) HMGCRALDH1A1RAB9ALMNAUSP2
SCHEMBL9855569 0.64 CA12 (0.40) ALDH1A1RAB9ANPC1ATM

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