SCHEMBL8476790

SCHEMBL8476790

COc1ccc(CCl)cc1CC(=O)O

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.64
GAA P10253 3/20 0.55
NPSR1 Q6W5P4 1/20 0.54
ALDH1A1 P00352 2/20 0.51
TSHR P16473 1/20 0.51
NFKB1 P19838 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
TTR P02766 2/20 0.49
CA5A P35218 1/20 0.49
PTGS1 P23219 1/20 0.44
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
LDHA P00338 1/20 0.44
HPGD P15428 1/20 0.42
POLB P06746 1/20 0.42
SELL P14151 1/20 0.41
SELP P16109 1/20 0.41

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
SCHEMBL31422467 0.83 HSD17B10 (0.62) HSD17B10GAANPSR1ALDH1A1TSHR
SCHEMBL5598123 0.81 TTR (0.54) GAAALDH1A1TTRPOLB
SCHEMBL30776597 0.81 TTR (0.54) GAAALDH1A1TTRPOLB
SCHEMBL24021298 0.80 GAA (0.68) HSD17B10GAANPSR1ALDH1A1TSHR
SCHEMBL3870178 0.80 HSD17B10 (0.68) HSD17B10GAANPSR1ALDH1A1TSHR
SCHEMBL7093110 0.79 ALDH1A1 (0.67) HSD17B10GAAALDH1A1HPGDPOLB
SCHEMBL13205866 0.78 HSD17B10 (0.70) HSD17B10GAANPSR1ALDH1A1TSHR
SCHEMBL6343545 0.78 HSD17B10 (0.70) HSD17B10GAANPSR1ALDH1A1TSHR
SCHEMBL504029 0.78 HSD17B10 (1.00) HSD17B10GAAPTGS1AKR1C3AKR1C2
SCHEMBL29431167 0.78 HSD17B10 (0.70) HSD17B10GAANPSR1ALDH1A1TSHR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5936097-A ANTITUMOR AGENTS RHONE-POULENC RORER, S.A. (FR) 1999-08-10 US disclosed