SCHEMBL8893416

SCHEMBL8893416

CCCCc1ccc(C(C)(O)C(=O)O)c(O[SiH](C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.42
PPARG P37231 4/20 0.42
RARB P10826 3/20 0.40
HPGD P15428 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 1/20 0.39
KAT8 Q9H7Z6 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
LTA4H P09960 1/20 0.36

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
SCHEMBL8893775 0.87 PPARA (0.43) PPARAPPARGRARBHPGDALDH1A1
SCHEMBL8892396 0.76 CYP2C19 (0.40) RARBHPGDALDH1A1HSD17B10NPC1
SCHEMBL7926899 0.70 CDK1 (0.40) PPARAPPARGRARBHPGDALDH1A1
SCHEMBL30607138 0.70 ALDH1A1 (0.56) RARBHPGDALDH1A1HSD17B10NPC1
SCHEMBL9751110 0.69 TRPV1 (0.48) PPARAPPARGHPGDALDH1A1HSD17B10
SCHEMBL8710220 0.68 SKP2 (0.37) PPARAPPARGHPGDNPC1RAB9A
SCHEMBL9589809 0.66 TRPV1 (0.65) PPARAPPARGHPGDALDH1A1HSD17B10
SCHEMBL5085353 0.66 S1PR1 (0.41) PPARAPPARG
SCHEMBL15549411 0.65 ALOX15 (0.65) PPARAPPARGHPGDALDH1A1HSD17B10
SCHEMBL2502958 0.65 KMT2A (0.54) PPARAPPARGRARBHPGDALDH1A1

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
WO-1997038995-A1 FUNGICIDAL OXAZOLIDINEDIONE DERIVATIVES ZENECA LIMITED (GB) 1997-10-23 WO disclosed