SCHEMBL7433765

SCHEMBL7433765

CCOC(=O)c1ccc(NC(=O)CCc2ccccc2CSC(C)=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.56
NAMPT P43490 1/20 0.56
ALDH1A1 P00352 7/20 0.55
MEN1 O00255 5/20 0.55
KMT2A Q03164 5/20 0.55
MAPK1 P28482 4/20 0.55
LMNA P02545 3/20 0.55
GAA P10253 2/20 0.55
TSHR P16473 4/20 0.55
CA12 O43570 1/20 0.53
CA9 Q16790 1/20 0.53
KDM4E B2RXH2 1/20 0.53
TP53 P04637 1/20 0.52
SMN1; SMN2 Q16637 4/20 0.51
RAB9A P51151 2/20 0.51
NPC1 O15118 1/20 0.51
THRB P10828 1/20 0.50

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
SCHEMBL7435487 0.85 HDAC3 (0.49) MAPTALDH1A1GAACA12CA9
SCHEMBL1994885 0.78 NAMPT (0.77) MAPTNAMPTALDH1A1MEN1KMT2A
SCHEMBL7433057 0.77 MAPT (0.52) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL7430590 0.76 GAA (0.53) MAPTALDH1A1GAA
SCHEMBL7431684 0.76 GAA (0.52) MAPTMEN1KMT2ALMNAGAA
SCHEMBL802338 0.75 GAA (0.72) MAPTNAMPTALDH1A1MEN1KMT2A
SCHEMBL7432797 0.75 SMN1; SMN2 (0.51) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL9843022 0.75 GAA (0.76) MAPTNAMPTALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL5194020 0.74 GAA (0.70) MAPTNAMPTALDH1A1MEN1KMT2A
SCHEMBL27425392 0.74 TSHR (0.75) MAPTNAMPTALDH1A1MEN1KMT2A

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
US-5210266-A Analgesic enkephalinase inhibitors DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1993-05-11 US disclosed
EP-0318859-A2 N-substituted mercaptopropanamide derivatives Dainippon Pharmaceutical Co., Ltd. (JP) 1989-06-07 EP disclosed