SCHEMBL11269147

SCHEMBL11269147

CCOC(=O)C(C)SCc1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
MAPT P10636 4/20 0.52
LMNA P02545 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
CYP1A2 P05177 5/20 0.48
CYP3A4 P08684 5/20 0.48
CYP2C19 P33261 3/20 0.48
CYP2C9 P11712 3/20 0.48
POLB P06746 1/20 0.48
EPHX1 P07099 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
MAPK1 P28482 1/20 0.44
STAT3 P40763 1/20 0.44
HPGD P15428 2/20 0.44
GAA P10253 1/20 0.44
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
EPHX2 P34913 3/20 0.43
KDM4E B2RXH2 1/20 0.43
TNF P01375 1/20 0.43

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
SCHEMBL11770013 0.84 POLB (0.64) ALDH1A1MAPTLMNACYP1A2CYP2C9
SCHEMBL6933198 0.83 L3MBTL1 (0.54) ALDH1A1MAPTLMNATDP1CYP1A2
SCHEMBL10952450 0.81 ALDH1A1 (0.48) ALDH1A1MAPTLMNATDP1CYP1A2
SCHEMBL10324381 0.78 CYP1A2 (0.48) ALDH1A1CYP1A2CYP2C9POLBEPHX1
SCHEMBL11189920 0.78 MAPT (0.62) ALDH1A1MAPTLMNATDP1CYP1A2
SCHEMBL11264538 0.76 CA1 (0.52) LMNAPOLBEPHX1SMN1; SMN2L3MBTL1
SCHEMBL2551616 0.76 EPHX2 (0.52) ALDH1A1MAPTLMNATDP1CYP1A2
SCHEMBL28644552 0.76 EPHX1 (0.55) ALDH1A1MAPTLMNATDP1CYP1A2
SCHEMBL18113262 0.75 ALDH1A1 (0.52) ALDH1A1MAPTLMNATDP1CYP1A2
SCHEMBL17785189 0.74 ALDH1A1 (0.64) ALDH1A1MAPTLMNACYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4325964-A SEDATIVES, MUSCLE RELAXANTS, HYPOTENSIVE AGENTS LABORATOIRE L. LAFON (FR) 1982-04-20 US disclosed
US-4225617-A PSYCHOTROPIC AGENTS LABORATOIRE L. LAFON (FR) 1980-09-30 US disclosed
US-4209524-A CENTRAL NERVOUS SYSTEM LABORATOIRE L. LAFON (FR) 1980-06-24 US disclosed
US-4209523-A TREATMENT OF THE CENTRAL NERVOUS SYSTEM LABORATOIRE L. LAFON (FR) 1980-06-24 US disclosed
US-4183951-A PSYCHOTROPIC AGENTS LABORATOIRE L. LAFON (FR) 1980-01-15 US disclosed
US-4152458-A CENTRAL NERVOUS SYSTEM, PSYCHOTROPIC AGENTS LABORATOIRE L. LAFON (FR) 1979-05-01 US disclosed
US-4151300-A CENTRAL NERVOUS SYSTEM, PSYCHOTROPIC LABORATOIRE L. LAFON (FR) 1979-04-24 US disclosed
US-4122186-A PSYCHOTROPIC AGENTS LABORATOIRE L. LAFON (FR) 1978-10-24 US disclosed