SCHEMBL9769863

SCHEMBL9769863

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

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 3/20 0.56
MGAM O43451 1/20 0.32
AMY1A P0DUB6 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.31
LMNA P02545 2/20 0.30
USP2 O75604 1/20 0.30
HSD17B10 Q99714 1/20 0.30
HSD11B1 P28845 1/20 0.30
GFER P55789 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
SCHEMBL10548599 1.00 HMGCR (0.56) HMGCRMGAMAMY1AGAASI
SCHEMBL9769874 0.87 HMGCR (0.54) HMGCRMGAMAMY1AGAASI
SCHEMBL9769846 0.83 HMGCR (0.41) HMGCRMGAMAMY1AGAASI
SCHEMBL9769841 0.83 HMGCR (0.41) HMGCRMGAMAMY1AGAASI
SCHEMBL10555078 0.74 HMGCR (0.82) HMGCR
SCHEMBL9769870 0.74 HMGCR (0.68) HMGCRALDH1A1HPGD
SCHEMBL10437639 0.74 HMGCR (0.82) HMGCR
SCHEMBL9769865 0.74 HMGCR (0.68) HMGCRALDH1A1HPGD
SCHEMBL9769899 0.74 HMGCR (0.54) HMGCRGAAALDH1A1TSHRLMNA
SCHEMBL9769871 0.74 HMGCR (0.54) HMGCRGAAALDH1A1TSHRLMNA

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 3 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
US-4870187-A ANTILIPEMIC, ATHEROSCLEROSIS BRISTOL-MYERS COMPANY (US) 1989-09-26 US disclosed