SCHEMBL8468671

SCHEMBL8468671

CCCCC(CC)CSP(=S)(S)SCC(CC)CCCC

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
TDP1 Q9NUW8 2/20 0.42
CYP3A4 P08684 4/20 0.41
TSHR P16473 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
CA2 P00918 2/20 0.35
ATM Q13315 1/20 0.33
CHRM2 P08172 1/20 0.30
HTR1A P08908 1/20 0.30
ADRA2A P08913 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
CHRM1 P11229 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
OPRM1 P35372 1/20 0.30
DRD3 P35462 1/20 0.30
SLC6A3 Q01959 1/20 0.30
KCNH2 Q12809 1/20 0.30
CYP2D6 P10635 1/20 0.30

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
SCHEMBL8469077 0.85 ALDH1A1 (0.44) ALDH1A1TDP1CYP3A4TSHRL3MBTL1
SCHEMBL9231485 0.84 ALDH1A1 (0.45) ALDH1A1TDP1CYP3A4TSHRL3MBTL1
SCHEMBL4446174 0.81 ALDH1A1 (0.47) ALDH1A1TDP1CYP3A4TSHRL3MBTL1
SCHEMBL8467900 0.81 ALDH1A1 (0.47) ALDH1A1TDP1CYP3A4TSHRL3MBTL1
SCHEMBL8469156 0.80 CYP3A4 (0.51) ALDH1A1TDP1CYP3A4TSHRL3MBTL1
SCHEMBL5028459 0.79 ALDH1A1 (0.41) ALDH1A1TDP1CYP3A4TSHRL3MBTL1
Zinc Ion SCHEMBL7782644 0.79 ALDH1A1 (0.41) ALDH1A1TDP1CYP3A4TSHRL3MBTL1
SCHEMBL15153014 0.79 ALDH1A1 (0.45) ALDH1A1TDP1CYP3A4TSHRL3MBTL1
SCHEMBL31380302 0.79 ALDH1A1 (0.41) ALDH1A1TDP1CYP3A4TSHRL3MBTL1
SCHEMBL27296353 0.79 ALDH1A1 (0.45) ALDH1A1TDP1CYP3A4TSHRL3MBTL1

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
US-5942470-A OIL SOLUBLE SULFUR CONTAINING PRESSURE AND ANTI-WEAR AGENT, AMINE SALT OF PHOSPHORUS ESTER, SUCCINIMIDE, AND ASHLESS DISPERSANTS ETHYL PETROLEUM ADDITIVES, INC. (US) 1999-08-24 US disclosed
EP-0459656-B1 Lubricant compositions ETHYL PETROLEUM ADDITIVES INC (US) 1995-09-20 EP disclosed
EP-0459656-A1 Lubricant compositions ETHYL PETROLEUM ADDITIVES, INC. (US) 1991-12-04 EP disclosed