SCHEMBL11265685

SCHEMBL11265685

COc1ccc(CSCC(=O)O)cc1OC

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.61
ALDH1A1 P00352 5/20 0.57
LDHA P00338 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.54
LMNA P02545 2/20 0.54
GAA P10253 4/20 0.50
CA2 P00918 3/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CA5A P35218 1/20 0.49
CA1 P00915 2/20 0.48
CA9 Q16790 2/20 0.48
CA12 O43570 1/20 0.48
TSHR P16473 1/20 0.47
NFKB1 P19838 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
HTT P42858 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL498736 0.88 GAA (0.65) CYP1A2ALDH1A1LMNAGAAMEN1
SCHEMBL1634732 0.87 CYP1A2 (0.52) CYP1A2ALDH1A1LDHASMN1; SMN2LMNA
SCHEMBL11269213 0.87 SMN1; SMN2 (0.57) ALDH1A1LDHASMN1; SMN2LMNACA2
SCHEMBL1634349 0.86 CYP1A2 (0.51) CYP1A2ALDH1A1LDHASMN1; SMN2LMNA
SCHEMBL27118038 0.86 CYP1A2 (0.57) CYP1A2ALDH1A1LDHASMN1; SMN2LMNA
SCHEMBL498702 0.84 DRD2 (0.50) CYP1A2ALDH1A1LDHASMN1; SMN2LMNA
SCHEMBL11264491 0.83 SMN1; SMN2 (0.60) ALDH1A1LDHASMN1; SMN2LMNAMEN1
SCHEMBL1635403 0.83 ALDH1A1 (0.48) CYP1A2ALDH1A1LDHASMN1; SMN2LMNA
SCHEMBL2420183 0.82 CA2 (0.65) CYP1A2ALDH1A1LDHAGAACA2
SCHEMBL2336216 0.82 CYP1A2 (0.55) CYP1A2ALDH1A1GAAMEN1KMT2A

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