SCHEMBL9033877

SCHEMBL9033877

CCOC(=O)C(NC(=O)NCc1ccccc1)C(O)c1ccc(CN2CCCCCC2)s1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
KMT2A Q03164 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.40
MAPT P10636 2/20 0.40
PPID Q08752 1/20 0.40
ANPEP P15144 1/20 0.39
ATM Q13315 2/20 0.39
OPRD1 P41143 2/20 0.38
LMNA P02545 1/20 0.38
OPRM1 P35372 1/20 0.38
KDM4E B2RXH2 1/20 0.38
DRD4 P21917 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C9 P11712 1/20 0.37
NAMPT P43490 1/20 0.37
OPRK1 P41145 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL9031818 0.86 CTSL (0.44) SMN1; SMN2ATMCYP2D6CYP2C9OPRK1
SCHEMBL9032737 0.85 CTSL (0.44) SMN1; SMN2ATMLMNACYP2D6CYP2C9
SCHEMBL9034257 0.84 SMN1; SMN2 (0.41) SMN1; SMN2KMT2AMAPTOPRD1LMNA
SCHEMBL9034551 0.83 HRH3 (0.39) SMN1; SMN2L3MBTL1MAPTOPRD1LMNA
Hydrochloric Acid SCHEMBL9033421 0.81 SMN1; SMN2 (0.41) SMN1; SMN2KMT2AL3MBTL1OPRD1LMNA
SCHEMBL9034647 0.80 CTSL (0.38) SMN1; SMN2L3MBTL1MAPTKDM4EALDH1A1
SCHEMBL9033094 0.77 ITGB3 (0.45) SMN1; SMN2KDM4EALDH1A1CYP2D6CYP2C9
SCHEMBL9033091 0.76 CTSL (0.46) SMN1; SMN2MAPTATMLMNAOPRK1
SCHEMBL9034601 0.76 CTSL (0.40) SMN1; SMN2KMT2AATMLMNACYP2D6
SCHEMBL9033441 0.75 HRH3 (0.43) SMN1; SMN2KMT2AL3MBTL1MAPTOPRD1

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-0696586-A1 SERINE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1996-02-14 EP disclosed