SCHEMBL9769894

SCHEMBL9769894

OCC(=C(c1ccc(F)cc1)c1ccc(F)cc1)n1nnnc1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
HPGD P15428 1/20 0.43
HSD11B1 P28845 2/20 0.39
HDAC6 Q9UBN7 1/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
POLB P06746 1/20 0.37
HTT P42858 1/20 0.37
NPC1 O15118 1/20 0.37
MGLL Q99685 1/20 0.36
PKM P14618 1/20 0.36
TSHR P16473 1/20 0.35
MGAM O43451 1/20 0.35
AMY1A P0DUB6 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
STAT5B P51692 1/20 0.34

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
SCHEMBL9769886 0.81 HMGCR (0.45) ALDH1A1HPGDHSD11B1PKMTSHR
SCHEMBL9769831 0.78 ALDH1A1 (0.42) ALDH1A1HPGDHSD11B1HDAC6SLC6A2
SCHEMBL9769828 0.75 ELANE (0.43) ALDH1A1HPGDHSD11B1HDAC6MGLL
SCHEMBL9769841 0.74 HMGCR (0.41) ALDH1A1HPGDHSD11B1HDAC6SLC6A2
SCHEMBL9769846 0.74 HMGCR (0.41) ALDH1A1HPGDHSD11B1HDAC6SLC6A2
SCHEMBL10437623 0.68 MEN1 (0.46) ALDH1A1HPGDHSD11B1POLBHTT
SCHEMBL5673134 0.67 MGLL (0.52) ALDH1A1HPGDHSD11B1HDAC6POLB
SCHEMBL9769845 0.66 HMGCR (0.43) ALDH1A1NPC1TSHRGAALMNA
SCHEMBL10437622 0.66 MGLL (0.46) ALDH1A1HPGDHSD11B1HDAC6POLB
SCHEMBL12781922 0.65 MGLL (0.51) ALDH1A1HPGDHSD11B1HDAC6POLB

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