SCHEMBL9860197

SCHEMBL9860197

COC(=O)CCCCCCCCCCCC#CC(O)CCCCC(=O)OC

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.47
TSHR P16473 2/20 0.44
PPARG P37231 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
PABPC1 P11940 1/20 0.41
APOBEC3A P31941 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
PPARA Q07869 1/20 0.39
PTPN7 P35236 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
SCHEMBL9860445 0.95 HMGCR (0.58) HMGCRL3MBTL1PPARGPPARAPTPN7
SCHEMBL9860442 0.95 HMGCR (0.58) HMGCRL3MBTL1PPARGPPARAPTPN7
SCHEMBL6137398 0.86 HMGCR (0.46) HMGCRL3MBTL1PPARGPPARAPTPN7
SCHEMBL6137394 0.86 HMGCR (0.46) HMGCRL3MBTL1PPARGPPARAPTPN7
SCHEMBL8971861 0.86 HMGCR (0.50) HMGCRPPARGPPARAPTPN7
SCHEMBL8972230 0.86 HMGCR (0.50) HMGCRPPARGPPARAPTPN7
SCHEMBL18131344 0.84 HMGCR (0.48) HMGCRPPARGALDH1A1PPARAPTPN7
SCHEMBL6137399 0.83 HMGCR (0.43) HMGCRL3MBTL1TSHRPPARGPPARA
SCHEMBL6386324 0.83 HMGCR (0.43) HMGCRL3MBTL1TSHRPPARGPPARA
SCHEMBL10081547 0.83 L3MBTL1 (0.56) HMGCRL3MBTL1TSHRPPARGALDH1A1

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
US-4988716-A Inhibitors of slow reacting substance of anaphylaxis SCHERING CORPORATION (US) 1991-01-29 US disclosed