SCHEMBL9034272

SCHEMBL9034272

CC(NC(=O)OCc1ccccc1)C(O)c1ccc(CN2CCCCCC2)s1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.45
OPRK1 P41145 4/20 0.45
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
CTSK P43235 1/20 0.44
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
CYP3A4 P08684 5/20 0.42
TSHR P16473 3/20 0.42
PREP P48147 2/20 0.41
ELANE P08246 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CTSS P25774 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL8697846 0.89 OPRK1 (0.44) ATMOPRK1CTSLCTSBCTSK
SCHEMBL9031818 0.87 CTSL (0.44) ATMOPRK1CTSLCTSBCTSK
SCHEMBL9032737 0.86 CTSL (0.44) ATMOPRK1CTSLCTSBCTSK
SCHEMBL9033091 0.85 CTSL (0.46) ATMOPRK1CTSLCTSBCTSK
SCHEMBL9033818 0.84 CTSL (0.45) ATMOPRK1CTSLCTSBCTSK
SCHEMBL9032268 0.82 HRH3 (0.46) ALDH1A1HRH3SMN1; SMN2
SCHEMBL9035542 0.80 HRH3 (0.46) ALDH1A1HRH3SMN1; SMN2
SCHEMBL9033039 0.79 OPRK1 (0.51) ATMOPRK1CTSLCTSBCTSK
SCHEMBL9033094 0.77 ITGB3 (0.45) OPRK1CTSLCTSBCTSKITGB3
SCHEMBL9034307 0.76 OPRK1 (0.48) OPRK1CTSLCTSKITGB3ITGA2B

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