SCHEMBL7302686

SCHEMBL7302686

CCCOc1[c]c(CSC(C)=O)ccc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
HPGD P15428 1/20 0.33
CA9 Q16790 2/20 0.32
NR1H4 Q96RI1 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
MAPT P10636 1/20 0.31
HSD17B10 Q99714 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PLK1 P53350 1/20 0.31
LMNA P02545 2/20 0.31
ADORA3 P0DMS8 1/20 0.31
MEN1 O00255 1/20 0.31
GSTA1 P08263 1/20 0.31
GSTP1 P09211 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL7300483 0.88 MAPK8 (0.33) KMT2ACA9ALDH1A1MAPTL3MBTL1
SCHEMBL7306055 0.82 HDAC3 (0.37) CA9
SCHEMBL7307448 0.77 PGR (0.35) HPGDCA9NR1H4ALDH1A1MAPT
SCHEMBL185541 0.74 KMT2A (0.39) KMT2AHPGDCA9ALDH1A1MAPT
SCHEMBL7314203 0.73 KMT2A (0.33) KMT2A
SCHEMBL28073670 0.72 CYP2E1 (0.32)
SCHEMBL17987796 0.70 KMT2A (0.54) KMT2ACA9ALDH1A1MAPTL3MBTL1
SCHEMBL7307513 0.69 CYP2D6 (0.35) KMT2AHPGDCA9CNR1MAPT
SCHEMBL7312968 0.69 EPHX1 (0.32)
SCHEMBL27680868 0.68 LTA4H (0.39) HPGDALDH1A1MAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0634396-B1 Amino acid derivatives and their use as inhibitors of encephalinase BIOPROJET SOC CIV (FR) 1998-10-28 EP disclosed
EP-0634396-A1 Amino acid derivatives and their use as inhibitors of encephalinase SOCIETE CIVILE BIOPROJET (FR) 1995-01-18 EP disclosed