SCHEMBL3893373

SCHEMBL3893373

CC(Cc1ccc(OCC2CCCCC2)c(-c2ccc3ncccc3c2)c1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
PPARG P37231 1/20 0.41
XDH P47989 3/20 0.40
FFAR4 Q5NUL3 1/20 0.39
C5AR1 P21730 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.38
MDM2 Q00987 1/20 0.38
BACE1 P56817 3/20 0.37
GSK3B P49841 1/20 0.37
PTGER1 P34995 2/20 0.37
PTGER4 P35408 1/20 0.37
PTGER3 P43115 1/20 0.37
PTGER2 P43116 1/20 0.37
SRC P12931 3/20 0.37
YES1 P07947 1/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 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
SCHEMBL3880637 0.89 C5AR1 (0.43) AKR1C3AKR1C2PPARGXDHC5AR1
SCHEMBL3889875 0.88 AKR1C3 (0.43) AKR1C3AKR1C2XDHC5AR1PTGER1
SCHEMBL3882409 0.87 PTGER1 (0.42) AKR1C3AKR1C2PPARGC5AR1PTGER1
SCHEMBL3882883 0.85 THRA (0.47) PPARGXDHFFAR4C5AR1GSK3B
SCHEMBL3881996 0.84 KEAP1 (0.40) PPARGXDHC5AR1PTGER1PTGER4
SCHEMBL3884007 0.83 PTGER1 (0.39) C5AR1PTGER1PTGER4PTGER3PTGER2
SCHEMBL3890246 0.83 PTGER1 (0.40) PPARGXDHC5AR1PTGER1PTGER4
SCHEMBL3893376 0.82 PPARG (0.41) PPARGXDHFFAR4C5AR1GSK3B
SCHEMBL3882520 0.82 KEAP1 (0.38) PPARGXDHC5AR1PTGER1PTGER4
SCHEMBL3884291 0.82 CYP1A2 (0.40) XDHC5AR1SRCYES1

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