SCHEMBL7430649

SCHEMBL7430649

CC(=O)SCc1ccccc1CCC(=O)Nc1cc(C(=O)O)ccc1C

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SELL P14151 2/20 0.56
SELP P16109 2/20 0.56
SELE P16581 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.47
PTPN1 P18031 2/20 0.45
LTB4R Q15722 1/20 0.44
LMNA P02545 2/20 0.44
ALDH1A1 P00352 5/20 0.43
KMT2A Q03164 4/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MEN1 O00255 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 1/20 0.42
ALOX12 P18054 1/20 0.42
GAA P10253 1/20 0.41

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
SCHEMBL7429346 0.91 SELL (0.45) SELLSELPSELEL3MBTL1LTB4R
SCHEMBL7442252 0.89 SELP (0.47) SELLSELPSELELTB4RLMNA
SCHEMBL7430609 0.88 NPC1 (0.46) SELLSELPSELELTB4RALDH1A1
SCHEMBL7433940 0.86 LTB4R (0.62) LTB4RKMT2ANPC1RAB9AMEN1
SCHEMBL7434272 0.84 SELL (0.60) SELLSELPSELEL3MBTL1PTPN1
SCHEMBL7439374 0.83 KMT2A (0.44) L3MBTL1LMNAALDH1A1KMT2AMEN1
SCHEMBL7435487 0.82 HDAC3 (0.49) L3MBTL1ALDH1A1SMN1; SMN2MAPTGAA
SCHEMBL7437982 0.82 POLB (0.44) SELPSELELMNAALDH1A1NPC1
SCHEMBL7432442 0.82 L3MBTL1 (0.44) L3MBTL1LMNAALDH1A1KMT2AMEN1
SCHEMBL7427426 0.82 LTB4R (0.39) SELLSELPSELELTB4RKMT2A

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
EP-0318859-A2 N-substituted mercaptopropanamide derivatives Dainippon Pharmaceutical Co., Ltd. (JP) 1989-06-07 EP disclosed