SCHEMBL9769860

SCHEMBL9769860

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.42
GAA P10253 2/20 0.41
MAPT P10636 5/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
NPSR1 Q6W5P4 3/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
RAB9A P51151 3/20 0.41
ALDH1A1 P00352 3/20 0.40
NPC1 O15118 2/20 0.40
KDM4E B2RXH2 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
CASP3 P42574 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
ELANE P08246 1/20 0.37
HPGD P15428 2/20 0.37

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
SCHEMBL9769832 0.80 HMGCR (0.45) HMGCRGAANPSR1LMNARAB9A
SCHEMBL9769861 0.78 HMGCR (0.45) HMGCRGAAMAPTMEN1KMT2A
SCHEMBL1507996 0.75 KMT2A (0.54) GAAMAPTMEN1KMT2ANPSR1
SCHEMBL9769868 0.72 HMGCR (0.61) HMGCRGAAMAPTMEN1KMT2A
SCHEMBL9769862 0.72 HMGCR (0.61) HMGCRGAAMAPTMEN1KMT2A
SCHEMBL9859450 0.70 MAPT (0.53) GAAMAPTMEN1KMT2ANPSR1
SCHEMBL9855514 0.70 MAPT (0.53) GAAMAPTMEN1KMT2ANPSR1
SCHEMBL9769786 0.70 HMGCR (0.74) HMGCR
SCHEMBL9769845 0.70 HMGCR (0.43) HMGCRGAAMAPTNPSR1LMNA
SCHEMBL10990974 0.70 ALDH1A1 (0.43) GAAMAPTMEN1KMT2ANPSR1

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