SCHEMBL3896115

SCHEMBL3896115

CC(Cc1ccc(OC2CCCC2)c(-c2cccc3nn(C)cc23)c1)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 11/20 0.37
PDE4B Q07343 4/20 0.36
PDE4C Q08493 4/20 0.36
PDE4D Q08499 4/20 0.36
ITGB1 P05556 1/20 0.35
ITGA4 P13612 1/20 0.35
ITGB7 P26010 1/20 0.35
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
ENPP2 Q13822 1/20 0.35
DRD3 P35462 1/20 0.34
P2RX3 P56373 1/20 0.34
PLA2G10 O15496 3/20 0.34
PLA2G2A P14555 3/20 0.34
PTGER1 P34995 1/20 0.34
PTGER4 P35408 1/20 0.34
PTGER3 P43115 1/20 0.34
PTGER2 P43116 1/20 0.34
PLA2G1B P04054 1/20 0.34
PLA2G5 P39877 1/20 0.34

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
SCHEMBL3882255 0.85 FFAR4 (0.42) PDE4APDE4BPDE4CPDE4DBRD4
SCHEMBL3889224 0.82 MAT2A (0.39) PDE4APDE4BPDE4CPDE4DITGB1
SCHEMBL3881975 0.82 SCD5 (0.39) PDE4APDE4BPDE4CPDE4DITGB1
SCHEMBL3883505 0.82 ITGB1 (0.41) PDE4APDE4BPDE4CPDE4DITGB1
SCHEMBL3894227 0.82 PDE4B (0.39) PDE4APDE4BPDE4CPDE4DBRD4
SCHEMBL3880939 0.82 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DITGB1
SCHEMBL3883935 0.81 MAT2A (0.39) PDE4APDE4BPDE4CPDE4DITGB1
SCHEMBL3882348 0.81 PDE4A (0.37) PDE4APDE4BPDE4CPDE4DITGB1
SCHEMBL3883962 0.80 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DITGB1
SCHEMBL3883911 0.80 KDM4E (0.40) PDE4APDE4BPDE4CPDE4DITGB1

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-1477472-B1 SUBSTITUTED PHENYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2009-01-14 EP claimed