SCHEMBL27403100

SCHEMBL27403100

CC(C)CCOc1ccc(CCC(C)C(=O)O)cc1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.46
PPARD Q03181 1/20 0.46
PPARA Q07869 1/20 0.46
LTB4R Q15722 2/20 0.44
PTGER1 P34995 2/20 0.44
PTGER4 P35408 2/20 0.44
PTGER3 P43115 2/20 0.44
PTGER2 P43116 2/20 0.44
HTT P42858 1/20 0.43
SLC6A9 P48067 1/20 0.43
PTGDR2 Q9Y5Y4 4/20 0.42
FABP3 P05413 2/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
PKM P14618 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CD274 Q9NZQ7 3/20 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
SCHEMBL27430018 0.89 PPARG (0.48) PPARGPPARDPPARALTB4RPTGER1
SCHEMBL27406192 0.89 PTGER1 (0.45) PPARGPPARDPPARALTB4RPTGER1
SCHEMBL27406919 0.88 THRA (0.51) PPARGPPARDPPARALTB4RPTGER1
SCHEMBL27406920 0.85 LTB4R (0.43) PPARGPPARDPPARALTB4RPTGER1
SCHEMBL7725133 0.85 PPARD (0.52) PPARGPPARDPPARAPTGER1PTGER4
SCHEMBL27429004 0.84 PPARG (0.46) PPARGPPARDPPARALTB4RPTGER1
SCHEMBL27406917 0.84 PPARG (0.43) PPARGPPARDPPARALTB4RPTGER1
SCHEMBL7734111 0.82 PTPN1 (0.49) PPARGPPARDPPARALTB4RHTT
SCHEMBL8064200 0.81 PPARG (0.51) PPARGPPARDPPARALTB4RPTGER1
SCHEMBL27427443 0.80 PPARG (0.52) PPARGPPARDPPARALTB4RPTGER1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1103332-C Biphenyl-5-alkanoic acid derivs. and use thereof ASAHI CHEMICAL IND (JP) 2003-03-19 CN disclosed
CN-1276778-A Biphenyl-5-alkanoic acid derivs. and use thereof ASAHI CHEMICAL IND (JP) 2000-12-13 CN disclosed