SCHEMBL5028459

SCHEMBL5028459

CCCCC(CC)CSP([O-])([O-])=S.CCCCC(CC)CSP([O-])([O-])=S.[Mo+4]

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
TDP1 Q9NUW8 2/20 0.41
CYP3A4 P08684 4/20 0.39
TSHR P16473 3/20 0.39
CA2 P00918 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ATM Q13315 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
SCHEMBL29504140 0.96 CYP3A4 (0.40) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL31380302 0.96 ALDH1A1 (0.41) ALDH1A1TDP1CYP3A4TSHRCA2
Zinc Ion SCHEMBL7782644 0.96 ALDH1A1 (0.41) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL30476155 0.90 CYP3A4 (0.38) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL9231485 0.82 ALDH1A1 (0.45) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL2478886 0.80 CYP3A4 (0.50) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL4446174 0.79 ALDH1A1 (0.47) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL8467900 0.79 ALDH1A1 (0.47) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL8468671 0.79 ALDH1A1 (0.42) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL15153014 0.78 ALDH1A1 (0.45) ALDH1A1TDP1CYP3A4TSHRCA2

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
WO-2024150774-A1 GREASE COMPOSITION 出光興産株式会社 2024-07-18 WO disclosed
US-20080020952-A1 Lubricant Composition NIPPON OIL CORPORATION (JP) 2008-01-24 US disclosed