SCHEMBL11537463

SCHEMBL11537463

CCOC(=S)Cc1ccc(Oc2ccc(Cl)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
PPARA Q07869 4/20 0.42
ABCB11 O95342 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
HTR2A P28223 1/20 0.42
PMP22 Q01453 1/20 0.42
OPRK1 P41145 1/20 0.42
LTA4H P09960 1/20 0.42
EPHX2 P34913 1/20 0.42
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
S1PR5 Q9H228 1/20 0.38

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
SCHEMBL11265080 0.92 MAPT (0.48) MAPTPPARAABCB11CYP1A2CYP3A4
SCHEMBL11540438 0.83 MAPT (0.42) MAPTCYP1A2CYP3A4MAOAMAOB
SCHEMBL12437151 0.80 ALDH1A1 (0.49) MAPTKMT2AMEN1SMN1; SMN2NPC1
SCHEMBL11539696 0.78 LTA4H (0.47) MAPTPPARALTA4HEPHX2MAOA
SCHEMBL11537202 0.78 LTA4H (0.50) MAPTPPARALTA4HEPHX2MAOA
SCHEMBL18235712 0.77 MEN1 (0.47) L3MBTL1KMT2AMEN1NPC1RAB9A
SCHEMBL11541552 0.76 PPARA (0.43) MAPTPPARAABCB11CYP1A2CYP3A4
SCHEMBL10345457 0.75 RAB9A (0.50) MAPTPPARAL3MBTL1KMT2AMEN1
SCHEMBL9742546 0.74 CYP3A4 (0.47) MAPTCYP1A2CYP3A4TSHRMAOA
SCHEMBL11539975 0.74 KMT2A (0.41) MAPTCYP1A2L3MBTL1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4156011-A TREATMENT OF CARDIOVASCULAR DISORDERS SOCIETE ANONYME DITE: LABORATOIRE L. LAFON (FR) 1979-05-22 US disclosed