SCHEMBL9452973

SCHEMBL9452973

O=C(O)CCCCCCCSc1nc(-c2ccccc2)c(-c2ccccc2)o1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.61
CYP2C19 P33261 2/20 0.61
CYP1A2 P05177 1/20 0.61
POLB P06746 4/20 0.61
NR4A2 P43354 4/20 0.61
RXRA P19793 3/20 0.61
RXRB P28702 3/20 0.61
GAA P10253 2/20 0.61
RXRG P48443 2/20 0.59
KDM4E B2RXH2 5/20 0.57
ALDH1A1 P00352 4/20 0.57
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
HRH3 Q9Y5N1 1/20 0.57
TSHR P16473 3/20 0.54
HPGD P15428 3/20 0.54
MAPK1 P28482 3/20 0.54
LMNA P02545 3/20 0.54
NR4A1 P22736 2/20 0.54

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
SCHEMBL11750639 1.00 HSD17B10 (0.61) HSD17B10CYP2C19CYP1A2POLBNR4A2
SCHEMBL11753276 0.95 HSD17B10 (0.64) HSD17B10CYP2C19CYP1A2POLBNR4A2
SCHEMBL11752729 0.91 GAA (0.70) HSD17B10CYP2C19CYP1A2POLBNR4A2
SCHEMBL11745584 0.89 HSD17B10 (0.68) HSD17B10CYP2C19CYP1A2POLBNR4A2
SCHEMBL11752392 0.89 RXRA (0.54) HSD17B10CYP2C19CYP1A2POLBNR4A2
SCHEMBL11750019 0.89 RXRA (0.54) HSD17B10CYP2C19CYP1A2POLBNR4A2
SCHEMBL11755875 0.89 RXRA (0.54) HSD17B10CYP2C19CYP1A2POLBNR4A2
SCHEMBL11751481 0.89 RXRA (0.54) HSD17B10CYP2C19CYP1A2POLBNR4A2
SCHEMBL11752234 0.89 RXRA (0.54) HSD17B10CYP2C19CYP1A2POLBNR4A2
SCHEMBL11749898 0.89 RXRA (0.54) HSD17B10CYP2C19CYP1A2POLBNR4A2

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
EP-0434034-A1 Oxazole derivatives Bristol-Myers Squibb Company (US) 1991-06-26 EP claimed
US-5262540-A FOR INHIBITION OF BLOOD PLATELET AGGREGATION IN MAMMALS BRISTOL-MYERS SQUIBB COMPANY (US) 1993-11-16 US disclosed
EP-0434034-A1 Oxazole derivatives Bristol-Myers Squibb Company (US) 1991-06-26 EP disclosed