SCHEMBL11545934

SCHEMBL11545934

CCCCCCCC(CC(Oc1ccccc1)C(=O)O)OC(CCCCCCC)CC(Oc1ccccc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTRC Q99895 1/20 0.51
PPARA Q07869 15/20 0.47
PPARG P37231 14/20 0.47
PTGES O14684 1/20 0.45
ALOX5 P09917 1/20 0.45
ALDH1A1 P00352 1/20 0.41
CNR2 P34972 1/20 0.41

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
SCHEMBL11552397 1.00 CTRC (0.51) CTRCPPARAPPARGPTGESALOX5
SCHEMBL11546174 0.94 PPARG (0.50) CTRCPPARAPPARGPTGESALOX5
SCHEMBL11553515 0.87 TDP1 (0.46) CTRCPPARAPPARGPTGESALOX5
SCHEMBL11176080 0.86 PPARA (0.58) CTRCPPARAPPARG
SCHEMBL11181668 0.86 PPARA (0.58) CTRCPPARAPPARG
SCHEMBL11531304 0.86 CTRC (0.64) CTRCPPARAPPARGPTGESALOX5
SCHEMBL6342298 0.86 CTRC (0.64) CTRCPPARAPPARGPTGESALOX5
SCHEMBL4002165 0.86 CTRC (0.64) CTRCPPARAPPARGPTGESALOX5
SCHEMBL15903011 0.86 CTRC (0.64) CTRCPPARAPPARGPTGESALOX5
SCHEMBL22828775 0.86 CTRC (0.64) CTRCPPARAPPARGPTGESALOX5

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
US-4148915-A ARTERIOSCLEROSIS AND HYPERLIPEMIA TREATMENT DIURETICS, ANTICHOLESTEROL AND ANTILIPEMIC ALBERT ROLLAND, S.A. (FR) 1979-04-10 US claimed
US-4148915-A ARTERIOSCLEROSIS AND HYPERLIPEMIA TREATMENT DIURETICS, ANTICHOLESTEROL AND ANTILIPEMIC ALBERT ROLLAND, S.A. (FR) 1979-04-10 US disclosed