SCHEMBL10427166

SCHEMBL10427166

COC(=O)CCCCCCCCC(O)C#CC#CC#C[Si](C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
PABPC1 P11940 1/20 0.40
APOBEC3A P31941 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
TSHR P16473 3/20 0.38
PPARG P37231 2/20 0.38
LMNA P02545 2/20 0.36
ALDH1A1 P00352 1/20 0.36
PPARA Q07869 1/20 0.36
EPHX2 P34913 1/20 0.33
PTGER2 P43116 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL30449235 0.87 TSHR (0.44) HMGCRL3MBTL1PABPC1APOBEC3AAPOBEC3G
SCHEMBL4570484 0.82 TSHR (0.45) L3MBTL1PABPC1APOBEC3AAPOBEC3GTSHR
SCHEMBL30449085 0.81 L3MBTL1 (0.39) HMGCRL3MBTL1PABPC1APOBEC3AAPOBEC3G
SCHEMBL13305477 0.76 TSHR (0.41) L3MBTL1PABPC1APOBEC3AAPOBEC3GTSHR
SCHEMBL3342037 0.76 TSHR (0.41) L3MBTL1PABPC1APOBEC3AAPOBEC3GTSHR
SCHEMBL31519148 0.75 HMGCR (0.46) HMGCRPPARGLMNAMAPT
SCHEMBL9860197 0.75 HMGCR (0.51) HMGCRL3MBTL1PABPC1APOBEC3AAPOBEC3G
SCHEMBL9860445 0.71 HMGCR (0.58) HMGCRL3MBTL1PPARGPPARAMAPT
SCHEMBL9860442 0.71 HMGCR (0.58) HMGCRL3MBTL1PPARGPPARAMAPT
SCHEMBL6037397 0.71 TSHR (0.47) HMGCRTSHRPPARGLMNAALDH1A1

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
JP-2003624-A None JP disclosed
JP-H023624-A ACETYLENIC ESTER MERCK & CO INC 1990-01-09 JP disclosed