SCHEMBL3887129

SCHEMBL3887129

CC(Cc1ccc(OC2CCCCC2)c(-c2ccc3ccccc3c2)c1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 3/20 0.44
ADRB3 P13945 3/20 0.44
PDE4A P27815 5/20 0.42
PLA2G10 O15496 3/20 0.41
PLA2G2A P14555 3/20 0.41
PLA2G1B P04054 1/20 0.41
PLA2G5 P39877 1/20 0.41
PLA2G2C Q5R387 1/20 0.41
PLA2G12B Q9BX93 1/20 0.41
PLA2G12A Q9BZM1 1/20 0.41
PLA2G2F Q9BZM2 1/20 0.41
PLA2G3 Q9NZ20 1/20 0.41
PLA2G2E Q9NZK7 1/20 0.41
PLA2G2D Q9UNK4 1/20 0.41
FFAR4 Q5NUL3 2/20 0.41
APP P05067 1/20 0.40
ITGB1 P05556 1/20 0.40
ITGA4 P13612 1/20 0.40
PTGER1 P34995 1/20 0.39
PTGER4 P35408 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
SCHEMBL3892376 0.99 PDE4A (0.43) ADRB1ADRB3PDE4APLA2G10PLA2G2A
SCHEMBL3893626 0.88 IKBKB (0.43) ADRB1ADRB3PDE4AFFAR4KMO
SCHEMBL3884512 0.87 IKBKB (0.44) ADRB1ADRB3PDE4AFFAR4KMO
SCHEMBL3883671 0.85 PTGS2 (0.43) ADRB1ADRB3PDE4AAPPPDE4B
SCHEMBL3882409 0.85 PTGER1 (0.42) PLA2G10PLA2G2APLA2G1BPLA2G5PLA2G2C
SCHEMBL3886327 0.85 PPARG (0.50) PLA2G10PLA2G2APLA2G1BPLA2G5PLA2G2C
SCHEMBL3882042 0.84 PTGS2 (0.43) ADRB1ADRB3PDE4APLA2G10PLA2G2A
SCHEMBL3881923 0.84 MAPK14 (0.40) ADRB1ADRB3KMOTPH1
SCHEMBL3889253 0.84 MAPK14 (0.40) ADRB1ADRB3KMOTPH1
SCHEMBL3888282 0.84 GRM2 (0.39) ADRB1ADRB3PDE4AAPPITGB1

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