SCHEMBL11449239

SCHEMBL11449239

COCc1cc(CC(=O)O)ccc1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.61
GAA P10253 5/20 0.61
TSHR P16473 3/20 0.61
TDP1 Q9NUW8 3/20 0.61
NFKB1 P19838 2/20 0.61
HPGD P15428 4/20 0.58
HSD17B10 Q99714 4/20 0.58
KDM4E B2RXH2 4/20 0.58
MAPT P10636 4/20 0.58
HIF1A Q16665 2/20 0.58
APEX1 P27695 2/20 0.58
POLB P06746 2/20 0.58
RGS12 O14924 1/20 0.58
LMNA P02545 1/20 0.58
THPO P40225 1/20 0.58
BLM P54132 1/20 0.58
GNAI1 P63096 1/20 0.58
PMP22 Q01453 1/20 0.58
CA2 P00918 2/20 0.53
PRKCE Q02156 3/20 0.49

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
SCHEMBL12125341 0.82 HPGD (0.66) ALDH1A1GAATSHRTDP1NFKB1
SCHEMBL25446709 0.82 PRKCE (0.47) ALDH1A1TSHRTDP1HPGDHSD17B10
SCHEMBL10825727 0.82 GAA (0.70) ALDH1A1GAATSHRTDP1NFKB1
SCHEMBL24410610 0.82 GAA (0.47) ALDH1A1GAATSHRTDP1NFKB1
SCHEMBL6559232 0.79 HPGD (0.61) ALDH1A1GAATSHRTDP1NFKB1
SCHEMBL28641995 0.79 TRPA1 (0.55) ALDH1A1TDP1HPGDHSD17B10KDM4E
SCHEMBL25460973 0.79 PRKCE (0.44) ALDH1A1TSHRTDP1HPGDHSD17B10
SCHEMBL13449226 0.78 ALDH1A1 (0.44) ALDH1A1GAATSHRTDP1NFKB1
SCHEMBL11395073 0.77 GAA (0.63) ALDH1A1GAATSHRTDP1NFKB1
SCHEMBL2623695 0.77 GAA (0.63) ALDH1A1GAATSHRTDP1NFKB1

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-4197240-A ANTIBIOTICS YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 1980-04-08 US disclosed