SCHEMBL10435876

SCHEMBL10435876

COc1cc(C2CC(=O)N(c3ccc(C(C)C)cc3)C2)ccc1C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 11/20 0.60
PDE4B Q07343 7/20 0.60
PDE4C Q08493 7/20 0.60
PDE4D Q08499 7/20 0.60
PRSS12 P56730 2/20 0.41
TP53 P04637 1/20 0.41
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RAB9A P51151 1/20 0.40
HIF1A Q16665 1/20 0.39

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
SCHEMBL9732649 0.89 PDE4A (0.63) PDE4APDE4BPDE4CPDE4DPRSS12
SCHEMBL10435864 0.88 PDE4A (0.64) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL10435858 0.88 PDE4A (0.64) PDE4APDE4BPDE4CPDE4DTP53
SCHEMBL10435854 0.88 PDE4A (0.64) PDE4APDE4BPDE4CPDE4DPRSS12
SCHEMBL10435871 0.88 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DPRSS12
SCHEMBL10435886 0.87 PDE4A (0.63) PDE4APDE4BPDE4CPDE4DTP53
SCHEMBL9732552 0.87 PDE4A (0.69) PDE4APDE4BPDE4CPDE4DPRSS12
SCHEMBL7716260 0.85 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DPRSS12
SCHEMBL10435877 0.85 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DPRSS12
SCHEMBL10435909 0.85 PDE4A (0.60) PDE4APDE4BPDE4CPDE4D

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
EP-0393607-A2 Phenylcarboxylic acid derivatives having a hetero ring OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-10-24 EP disclosed