SCHEMBL9449574

SCHEMBL9449574

O=C(O)C=CCn1cc(CC(=O)O)c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 1/20 0.56
PLK1 P53350 6/20 0.53
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
MCL1 Q07820 4/20 0.50
HTR7 P34969 2/20 0.44
ICMT O60725 1/20 0.43
CREBBP Q92793 1/20 0.42
TBXAS1 P24557 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
SCHEMBL2187777 0.82 CDC25A (0.59) CDC25APLK1ALDH1A1LMNAMCL1
SCHEMBL18180209 0.80 CDC25A (0.63) CDC25APLK1ALDH1A1LMNAMCL1
SCHEMBL3743075 0.79 CDC25A (0.70) CDC25APLK1ALDH1A1LMNAMCL1
SCHEMBL29379289 0.78 CDC25A (0.68) CDC25APLK1ALDH1A1LMNAMCL1
SCHEMBL2465449 0.78 CDC25A (0.68) CDC25APLK1ALDH1A1LMNAMCL1
SCHEMBL2051630 0.78 ALDH1A1 (0.80) CDC25APLK1ALDH1A1LMNA
SCHEMBL28370205 0.77 CDC25A (0.67) CDC25APLK1ALDH1A1LMNAMCL1
SCHEMBL29376139 0.77 CDC25A (0.67) CDC25APLK1ALDH1A1LMNAMCL1
SCHEMBL15747715 0.77 CDC25A (0.80) CDC25APLK1ALDH1A1LMNAMCL1
SCHEMBL28365667 0.76 CDC25A (0.62) CDC25APLK1ALDH1A1LMNAMCL1

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
US-5229413-A Nervous system disorders G. D. SEARLE & CO. (US) 1993-07-20 US disclosed
US-5137910-A Compositions containing indole-2-carboxylate compounds for treatment of CNS disorders C.D. SEARLE & CO. (US) 1992-08-11 US disclosed
EP-0396124-A2 Compositions containing indole-2-carboxylate compounds for treatment of CNS disorders G.D. Searle & Co. (US) 1990-11-07 EP disclosed