SCHEMBL3883671

SCHEMBL3883671

CC(Cc1ccc(OC2CCCCC2)c(-c2ccc3[nH]ccc3c2)c1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.43
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
BRD4 O60885 1/20 0.39
ENPP2 Q13822 1/20 0.38
KMO O15229 3/20 0.38
EPHX1 P07099 1/20 0.38
C5AR1 P21730 1/20 0.37
PDE4A P27815 3/20 0.37
PDE4B Q07343 3/20 0.37
PDE4C Q08493 2/20 0.37
PDE4D Q08499 2/20 0.37
APP P05067 1/20 0.37
TPH1 P17752 2/20 0.36
MAP3K11 Q16584 1/20 0.36
VCP P55072 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
SCHEMBL3882042 0.99 PTGS2 (0.43) PTGS2ADRB1ADRB3BRD4ENPP2
SCHEMBL3882128 0.88 ROCK1 (0.41) ADRB1ADRB3BRD4PDE4B
SCHEMBL3884668 0.88 PTGS2 (0.42) PTGS2ENPP2C5AR1MAP3K11VCP
SCHEMBL3887129 0.85 ADRB1 (0.44) ADRB1ADRB3KMOPDE4APDE4B
SCHEMBL3889253 0.85 MAPK14 (0.40) ADRB1ADRB3KMOTPH1
SCHEMBL3881923 0.85 MAPK14 (0.40) ADRB1ADRB3KMOTPH1
SCHEMBL3882575 0.84 PTGS2 (0.43) PTGS2ENPP2EPHX1C5AR1APP
SCHEMBL3892376 0.84 PDE4A (0.43) ADRB1ADRB3PDE4APDE4BPDE4C
SCHEMBL3891048 0.84 MAPK14 (0.41) TPH1
SCHEMBL3882882 0.83 FFAR4 (0.49) ENPP2KMOEPHX1PDE4BVCP

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