SCHEMBL11520353

SCHEMBL11520353

CC(=O)OC1(c2ccccc2)C=CC=CC1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.36
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 3/20 0.33
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ESR1 P03372 1/20 0.32
ITGB3 P05106 1/20 0.32
ITGA2B P08514 1/20 0.32
HMGB1 P09429 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
GGT1 P19440 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
BLM P54132 1/20 0.32
NAPRT Q6XQN6 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
POLB P06746 1/20 0.32
HSD11B1 P28845 1/20 0.31

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
SCHEMBL21526684 0.86 ELANE (0.37)
SCHEMBL6883947 0.84 LMNA (0.41) GAAALDH1A1MAPK1HSD17B10TSHR
SCHEMBL14689964 0.82 THRB (0.33)
SCHEMBL1157442 0.81 HTT (0.35) ALDH1A1KDM4ETSHRPOLBHTT
SCHEMBL10448804 0.81 GAA (0.35) GAANPSR1ALDH1A1MAPK1HSD17B10
SCHEMBL11519877 0.80 PDK2 (0.32) ALDH1A1HSD17B10KDM4EESR1ITGB3
SCHEMBL17986195 0.79 ALDH1A1 (0.30) ALDH1A1
SCHEMBL17986192 0.79 ALDH1A1 (0.30) ALDH1A1
SCHEMBL11419786 0.73 CYP3A4 (0.39) ALDH1A1HSD17B10KDM4ETSHRHSD11B1
SCHEMBL574722 0.71 HSD11B1 (0.36) HSD11B1HTT

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-4153691-A 2-(CARBAMOYL PHENYL) 2-ACETOXYBENZOATE BEECHAM GROUP LIMITED (GB) 1979-05-08 US disclosed