SCHEMBL9769874

SCHEMBL9769874

Cc1nnnn1C(C=O)=C(c1ccc(F)cc1)c1ccc(F)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 3/20 0.54
ALDH1A1 P00352 3/20 0.34
HPGD P15428 2/20 0.34
MGAM O43451 1/20 0.34
AMY1A P0DUB6 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
USP2 O75604 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HSD11B1 P28845 2/20 0.32
GFER P55789 1/20 0.32
KMT2A Q03164 1/20 0.32
PTGS2 P35354 1/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL9769863 0.87 HMGCR (0.56) HMGCRALDH1A1HPGDMGAMAMY1A
SCHEMBL10548599 0.87 HMGCR (0.56) HMGCRALDH1A1HPGDMGAMAMY1A
SCHEMBL9769831 0.81 ALDH1A1 (0.42) HMGCRALDH1A1HPGDMGAMAMY1A
SCHEMBL9769886 0.75 HMGCR (0.45) HMGCRALDH1A1HPGDMGAMAMY1A
SCHEMBL9769870 0.73 HMGCR (0.68) HMGCRALDH1A1HPGD
SCHEMBL10437639 0.73 HMGCR (0.82) HMGCR
SCHEMBL10555078 0.73 HMGCR (0.82) HMGCR
SCHEMBL9769865 0.73 HMGCR (0.68) HMGCRALDH1A1HPGD
SCHEMBL9769861 0.72 HMGCR (0.45) HMGCRALDH1A1HPGDGAAUSP2
SCHEMBL10550351 0.72 HMGCR (0.47) 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