SCHEMBL10435871

SCHEMBL10435871

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

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 7/20 0.58
PDE4B Q07343 5/20 0.58
PDE4C Q08493 5/20 0.58
PDE4D Q08499 5/20 0.58
MAPT P10636 1/20 0.50
TP53 P04637 2/20 0.46
ALDH1A1 P00352 3/20 0.44
GLA P06280 1/20 0.44
PKM P14618 1/20 0.43
MEN1 O00255 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
TSHR P16473 1/20 0.42
RECQL P46063 1/20 0.41
PRSS12 P56730 1/20 0.40

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
SCHEMBL10435858 0.91 PDE4A (0.64) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL10435876 0.88 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DTP53
SCHEMBL10435856 0.87 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DTP53
SCHEMBL10435861 0.87 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DTP53
SCHEMBL10435864 0.86 PDE4A (0.64) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL10435854 0.86 PDE4A (0.64) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL10435874 0.86 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL9732729 0.86 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL10435886 0.85 PDE4A (0.63) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL9732649 0.85 PDE4A (0.63) PDE4APDE4BPDE4CPDE4DMAPT

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