SCHEMBL7442252

SCHEMBL7442252

CC(=O)SCc1ccccc1CCC(=O)Nc1cc(C(=O)O)ccc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SELP P16109 4/20 0.47
SELL P14151 3/20 0.47
SELE P16581 2/20 0.47
ALOX15 P16050 1/20 0.46
MAPK1 P28482 1/20 0.46
LTB4R Q15722 1/20 0.44
HDAC1 Q13547 3/20 0.41
GAA P10253 3/20 0.40
KDM4E B2RXH2 2/20 0.40
APOBEC3A P31941 1/20 0.40
GFER P55789 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
HCAR2 Q8TDS4 1/20 0.39
HIF1A Q16665 1/20 0.39
EPAS1 Q99814 1/20 0.39
KDM5A P29375 1/20 0.39
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL7430649 0.89 SELL (0.56) SELPSELLSELELTB4RGAA
SCHEMBL7430609 0.88 NPC1 (0.46) SELPSELLSELELTB4RMEN1
SCHEMBL7429346 0.87 SELL (0.45) SELPSELLSELEMAPK1LTB4R
SCHEMBL7433940 0.86 LTB4R (0.62) LTB4RHDAC1AKR1C3AKR1C2MEN1
SCHEMBL7439374 0.83 KMT2A (0.44) MAPK1GAAGFERMEN1LMNA
SCHEMBL7438717 0.82 ALOX15 (0.50) SELPSELLSELEALOX15MAPK1
SCHEMBL7435487 0.82 HDAC3 (0.49) HDAC1GAA
SCHEMBL7427426 0.82 LTB4R (0.39) SELPSELLSELELTB4RHIF1A
SCHEMBL7432442 0.82 L3MBTL1 (0.44) MAPK1GAAKDM4EMEN1LMNA
SCHEMBL7432797 0.82 SMN1; SMN2 (0.51) HDAC1GAAMEN1KMT2A

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