SCHEMBL3884002

SCHEMBL3884002

CC(Cc1ccc(OCC2CCCC2)c(-c2ccc3[nH]ncc3c2)c1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F11 P03951 1/20 0.40
MAPK14 Q16539 1/20 0.39
CPT2 P23786 1/20 0.38
CPT1A P50416 1/20 0.38
PIK3CA P42336 1/20 0.38
MTOR P42345 1/20 0.38
TRPA1 O75762 5/20 0.38
XDH P47989 3/20 0.38
TRPM8 Q7Z2W7 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
CTSC P53634 1/20 0.37
AURKA O14965 1/20 0.37
DAPK3 O43293 1/20 0.37
JAK2 O60674 1/20 0.37
ROCK2 O75116 1/20 0.37
CDK1 P06493 1/20 0.37
FGFR1 P11362 1/20 0.37
PRKACA P17612 1/20 0.37
RPS6KB1 P23443 1/20 0.37
CDK2 P24941 1/20 0.37

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
SCHEMBL3891048 0.88 MAPK14 (0.41) F11MAPK14CPT2CPT1ATRPA1
SCHEMBL3881923 0.88 MAPK14 (0.40) F11MAPK14CPT2CPT1ATRPA1
SCHEMBL3889253 0.88 MAPK14 (0.40) F11MAPK14CPT2CPT1ATRPA1
SCHEMBL3884668 0.86 PTGS2 (0.42) MTORXDH
SCHEMBL3883888 0.85 THRA (0.44) F11MAPK14CPT2CPT1APIK3CA
SCHEMBL3882442 0.84 THRA (0.46) F11MAPK14CPT2CPT1APIK3CA
SCHEMBL3884956 0.83 HPGD (0.39) XDHTRPV1P2RX3
SCHEMBL3882409 0.83 PTGER1 (0.42)
SCHEMBL3892440 0.83 TRPA1 (0.42) TRPA1AURKADAPK3JAK2ROCK2
SCHEMBL3884976 0.83 PPARG (0.40) MTORXDH

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