SCHEMBL3880939

SCHEMBL3880939

CC(Cc1ccc(OC2CCCC2)c(-c2cccc3c2ccn3C)c1)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 8/20 0.38
PDE4B Q07343 5/20 0.37
PDE4C Q08493 4/20 0.37
PDE4D Q08499 4/20 0.37
ENPP2 Q13822 1/20 0.35
RXRA P19793 1/20 0.35
FFAR1 O14842 1/20 0.35
PLA2G10 O15496 3/20 0.35
PLA2G2A P14555 3/20 0.35
PTGER1 P34995 1/20 0.35
PTGER4 P35408 1/20 0.35
PTGER3 P43115 1/20 0.35
PTGER2 P43116 1/20 0.35
PLA2G1B P04054 1/20 0.35
PLA2G5 P39877 1/20 0.35
PLA2G2C Q5R387 1/20 0.35
PLA2G12B Q9BX93 1/20 0.35
PLA2G12A Q9BZM1 1/20 0.35
PLA2G2F Q9BZM2 1/20 0.35
PLA2G3 Q9NZ20 1/20 0.35

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
SCHEMBL3882348 0.99 PDE4A (0.37) PDE4APDE4BPDE4CPDE4DENPP2
SCHEMBL3888826 0.87 PTGER1 (0.39) PTGER1PTGER4PTGER3PTGER2BRD4
SCHEMBL3883505 0.85 ITGB1 (0.41) PDE4APDE4BPDE4CPDE4DENPP2
SCHEMBL3884350 0.85 FFAR4 (0.41) PDE4APDE4BPDE4CPDE4DRXRA
SCHEMBL3883275 0.84 THRA (0.42) PDE4APDE4BPDE4CPDE4DRXRA
SCHEMBL3896115 0.82 PDE4A (0.37) PDE4APDE4BPDE4CPDE4DENPP2
SCHEMBL3880942 0.81 PDE4B (0.40) PDE4APDE4BPDE4CPDE4D
SCHEMBL3893026 0.81 GRM2 (0.40) PDE4APDE4BPDE4CPDE4DADRB1
SCHEMBL3883911 0.81 KDM4E (0.40) PDE4APDE4BPDE4CPDE4DITGB1
SCHEMBL3888282 0.81 GRM2 (0.39) 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