SCHEMBL9848547

SCHEMBL9848547

CCCCCC(CCC)C(Oc1ccccc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 7/20 0.47
PPARG P37231 6/20 0.47
CTRC Q99895 1/20 0.46
ALOX5 P09917 2/20 0.44
CNR2 P34972 1/20 0.43
ALDH1A1 P00352 1/20 0.41
LTA4H P09960 1/20 0.41
PTGES O14684 1/20 0.40
CYP1A2 P05177 1/20 0.40
GAA P10253 1/20 0.40
CYP2C9 P11712 1/20 0.40
PKM P14618 1/20 0.40
CYP2C19 P33261 1/20 0.40
FAAH O00519 4/20 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
SCHEMBL7158307 0.90 CTRC (0.47) PPARAPPARGCTRCALOX5CNR2
SCHEMBL19127531 0.90 CTRC (0.47) PPARAPPARGCTRCALOX5CNR2
SCHEMBL664608 0.84 CTRC (0.46) PPARAPPARGCTRCALOX5CNR2
SCHEMBL4748765 0.84 CTRC (0.46) PPARAPPARGCTRCALOX5CNR2
SCHEMBL23566860 0.82 CTRC (0.51) PPARAPPARGCTRCALOX5CNR2
SCHEMBL18259710 0.82 CTRC (0.51) PPARAPPARGCTRCALOX5CNR2
SCHEMBL28558780 0.81 CTRC (0.47) PPARAPPARGCTRCALOX5CNR2
SCHEMBL4748733 0.79 PPARG (0.49) PPARAPPARGCTRCALOX5CNR2
SCHEMBL666291 0.79 PPARG (0.49) PPARAPPARGCTRCALOX5CNR2
SCHEMBL5574790 0.78 PPARG (0.51) PPARAPPARGALOX5ALDH1A1CYP1A2

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-0408506-A2 New triazole compounds CIBA-GEIGY AG (CH) 1991-01-16 EP disclosed