SCHEMBL18674152

SCHEMBL18674152

O=C(O)C1C(c2ccccc2)[C@H](C(=O)O)[C@@H]1c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.70
ALDH1A1 P00352 1/20 0.68
GAA P10253 2/20 0.63
FABP7 O15540 8/20 0.61
FABP5 Q01469 6/20 0.61
FABP3 P05413 4/20 0.59
P4HB P07237 1/20 0.59
HTT P42858 1/20 0.59
EDNRA P25101 1/20 0.58
PPARG P37231 1/20 0.58
GRM1 Q13255 2/20 0.57
GRM2 Q14416 1/20 0.57
GRM4 Q14833 1/20 0.57

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
SCHEMBL21120223 1.00 POLB (0.70) POLBALDH1A1GAAFABP7FABP5
SCHEMBL20598122 1.00 POLB (0.70) POLBALDH1A1GAAFABP7FABP5
SCHEMBL20614651 1.00 POLB (0.70) POLBALDH1A1GAAFABP7FABP5
SCHEMBL4560501 1.00 POLB (0.70) POLBALDH1A1GAAFABP7FABP5
SCHEMBL15590565 1.00 POLB (0.70) POLBALDH1A1GAAFABP7FABP5
SCHEMBL3482620 1.00 POLB (0.70) POLBALDH1A1GAAFABP7FABP5
Hydrochloric Acid SCHEMBL6904211 0.97 POLB (0.68) POLBALDH1A1GAAFABP7FABP5
SCHEMBL12694388 0.95 POLB (0.64) POLBALDH1A1GAAFABP7FABP5
SCHEMBL8643008 0.95 POLB (0.64) POLBALDH1A1GAAFABP7FABP5
SCHEMBL1029251 0.95 POLB (0.64) POLBALDH1A1GAAFABP7FABP5

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-9604904-B2 Alpha- and gamma-truxillic acid derivatives and pharmaceutical compositions thereof THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2017-03-28 US disclosed