SCHEMBL8997333

SCHEMBL8997333

CCCCCCSP(=S)(OCC)OCC

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.57
HSD17B10 Q99714 2/20 0.57
CYP3A4 P08684 1/20 0.57
TSHR P16473 1/20 0.46
LPAR2 Q9HBW0 3/20 0.41
LPAR3 Q9UBY5 3/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 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
SCHEMBL1050405 0.86 LPAR3 (0.53) ALDH1A1HSD17B10CYP3A4LPAR2LPAR3
SCHEMBL28359216 0.86 LPAR3 (0.53) ALDH1A1HSD17B10CYP3A4LPAR2LPAR3
SCHEMBL28355615 0.86 LPAR3 (0.53) ALDH1A1HSD17B10CYP3A4LPAR2LPAR3
SCHEMBL1044782 0.86 LPAR3 (0.53) ALDH1A1HSD17B10CYP3A4LPAR2LPAR3
SCHEMBL28359116 0.86 LPAR3 (0.53) ALDH1A1HSD17B10CYP3A4LPAR2LPAR3
SCHEMBL5015029 0.86 LPAR3 (0.44) ALDH1A1HSD17B10CYP3A4LPAR2LPAR3
SCHEMBL1050408 0.86 LPAR3 (0.53) ALDH1A1HSD17B10CYP3A4LPAR2LPAR3
SCHEMBL6691428 0.86 LPAR3 (0.53) ALDH1A1HSD17B10CYP3A4LPAR2LPAR3
SCHEMBL252445 0.83 LPAR3 (0.50) ALDH1A1HSD17B10CYP3A4LPAR2LPAR3
SCHEMBL11413278 0.82 ALDH1A1 (0.65) ALDH1A1HSD17B10CYP3A4TSHRMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0432089-B1 Lubricating oil compositions CIBA GEIGY AG (CH) 1996-09-04 EP claimed
EP-3397740-A1 LUBRICATING OIL COMPOSITION FOR DIESEL ENGINES SHELL INTERNATIONAL RESEARCH MAATSCHAPPIJ B.V. (NL) 2018-11-07 EP disclosed
WO-2017114836-A1 LUBRICATING OIL COMPOSITION FOR DIESEL ENGINES SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2017-07-06 WO disclosed