SCHEMBL11540435

SCHEMBL11540435

CCOC(=O)CSc1ccc(Sc2ccc(Cl)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.58
CYP2C9 P11712 3/20 0.58
CYP2C19 P33261 3/20 0.58
CYP3A4 P08684 2/20 0.58
MAPT P10636 4/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
ALDH1A1 P00352 3/20 0.51
LMNA P02545 2/20 0.51
HPGD P15428 2/20 0.51
MITF O75030 1/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
TSHR P16473 2/20 0.47
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 1/20 0.47
PTGS2 P35354 1/20 0.46

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
SCHEMBL14346586 0.95 MAPT (0.56) CYP1A2CYP2C9CYP2C19CYP3A4MAPT
SCHEMBL7409066 0.88 ALDH1A1 (0.53) CYP1A2CYP2C9CYP2C19CYP3A4MAPT
SCHEMBL1722192 0.83 MEN1 (0.54) CYP1A2CYP2C9CYP2C19CYP3A4MAPT
SCHEMBL3162185 0.82 L3MBTL1 (0.60) CYP1A2CYP2C9CYP2C19CYP3A4MAPT
SCHEMBL2302836 0.80 KMT2A (0.50) L3MBTL1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL28932704 0.79 HTT (0.68) CYP1A2CYP2C9CYP2C19CYP3A4MAPT
SCHEMBL11539882 0.79 GAA (0.56) CYP1A2CYP2C9CYP2C19CYP3A4MAPT
SCHEMBL7003848 0.79 LMNA (0.49) CYP1A2CYP2C9CYP2C19CYP3A4MAPT
SCHEMBL11539971 0.79 SMN1; SMN2 (0.56) CYP1A2CYP2C9CYP2C19CYP3A4MAPT
SCHEMBL2300941 0.79 ALDH1A1 (0.52) CYP1A2CYP3A4MAPTL3MBTL1MEN1

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