SCHEMBL8893775

SCHEMBL8893775

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 6/20 0.43
PPARG P37231 3/20 0.43
HPGD P15428 3/20 0.36
ALDH1A1 P00352 2/20 0.36
RARB P10826 1/20 0.35
HSD17B10 Q99714 1/20 0.34
LTA4H P09960 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C8 P10632 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2B6 P20813 2/20 0.33
CYP2C19 P33261 2/20 0.33
OPRK1 P41145 1/20 0.33
CYP2E1 P05181 1/20 0.33
HTR1A P08908 1/20 0.33
ALOX5 P09917 1/20 0.33

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
SCHEMBL8893416 0.87 PPARA (0.42) PPARAPPARGHPGDALDH1A1RARB
SCHEMBL8895341 0.81 CYP2C19 (0.36) ALDH1A1KMT2ACYP2C19
SCHEMBL7926899 0.68 CDK1 (0.40) PPARAPPARGHPGDALDH1A1RARB
SCHEMBL11554392 0.67 ALDH1A1 (0.44) PPARAHPGDALDH1A1HSD17B10NPC1
SCHEMBL5598883 0.67 ALOX5 (0.43) PPARAPPARGALOX5
SCHEMBL9751110 0.66 TRPV1 (0.48) PPARAPPARGHPGDALDH1A1HSD17B10
SCHEMBL8710220 0.65 SKP2 (0.37) PPARAPPARGHPGDLTA4HNPC1
SCHEMBL14975192 0.65 PPARA (0.45) PPARAPPARGHPGDALDH1A1NPC1
SCHEMBL10897372 0.65 ALDH1A1 (0.54) PPARAHPGDALDH1A1HSD17B10RAB9A
SCHEMBL10897815 0.65 CA12 (0.51) HPGDALDH1A1HSD17B10KMT2ACYP1A2

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