SCHEMBL10695001

SCHEMBL10695001

COc1ccc(CCNC(=O)C(O)(c2ccccc2)c2ccccc2)cc1OC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.62
MAPT P10636 3/20 0.59
PLAAT3 P53816 1/20 0.59
PLAAT5 Q96KN8 1/20 0.59
PLAAT2 Q9NWW9 1/20 0.59
PLAAT4 Q9UL19 1/20 0.59
CA12 O43570 1/20 0.59
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
CA9 Q16790 1/20 0.59
KMT2A Q03164 3/20 0.58
MEN1 O00255 2/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
HPGD P15428 1/20 0.58
ALOX12 P18054 1/20 0.58
HTT P42858 2/20 0.57
POLB P06746 2/20 0.56
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
LMNA P02545 1/20 0.55

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
SCHEMBL10993323 0.83 ALDH1A1 (0.58) ALDH1A1MAPTPLAAT3PLAAT5PLAAT2
SCHEMBL10691686 0.83 FPR2 (0.60) ALDH1A1MAPTPLAAT3PLAAT5PLAAT2
SCHEMBL10223234 0.81 CA12 (0.68) ALDH1A1MAPTCA12CA1CA2
SCHEMBL1968355 0.80 CA12 (0.66) ALDH1A1MAPTCA12CA1CA2
SCHEMBL901614 0.80 CA12 (0.73) ALDH1A1MAPTPLAAT3PLAAT5PLAAT2
SCHEMBL10690539 0.79 CNR1 (0.62) ALDH1A1MAPTPLAAT5PLAAT4CA12
SCHEMBL16115911 0.79 CA12 (0.64) ALDH1A1MAPTCA12CA1CA2
SCHEMBL2745785 0.79 CA12 (0.64) ALDH1A1MAPTCA12CA1CA2
SCHEMBL29356619 0.79 ALDH1A1 (0.77) ALDH1A1MAPTCA1CA2CA9
SCHEMBL6270935 0.79 ALDH1A1 (0.77) ALDH1A1MAPTCA1CA2CA9

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-0098743-B1 PHENYL ALPHA-ACYLOXYACETAMIDE DERIVATES AND THEIR THERAPEUTIC USE Yu, Ruey J., Dr. (US) 1988-09-28 EP disclosed
US-4518789-A Phenyl alpha-acyloxyacetamide derivatives and their therapeutic use YU RUEY J 1985-05-21 US disclosed
EP-0098743-A1 Phenyl alpha-acyloxyacetamide derivates and their therapeutic use Yu, Ruey J., Dr. (US) 1984-01-18 EP disclosed