SCHEMBL9031818

SCHEMBL9031818

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.44
CTSB P07858 4/20 0.44
CTSK P43235 3/20 0.44
OPRK1 P41145 4/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
BCHE P06276 2/20 0.41
ACHE P22303 2/20 0.41
CACNA1F O60840 1/20 0.41
CACNA1D Q01668 1/20 0.41
CACNA1S Q13698 1/20 0.41
CACNA1C Q13936 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
RAB9A P51151 1/20 0.40
ATM Q13315 1/20 0.40
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
CTSS P25774 3/20 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
SCHEMBL9032737 0.99 CTSL (0.44) CTSLCTSBCTSKOPRK1SMN1; SMN2
SCHEMBL9033094 0.90 ITGB3 (0.45) CTSLCTSBCTSKOPRK1SMN1; SMN2
SCHEMBL9033091 0.89 CTSL (0.46) CTSLCTSBCTSKOPRK1SMN1; SMN2
SCHEMBL9034601 0.89 CTSL (0.40) CTSLCTSBCTSKSMN1; SMN2BCHE
SCHEMBL9033818 0.88 CTSL (0.45) CTSLCTSBCTSKOPRK1SMN1; SMN2
SCHEMBL8697846 0.87 OPRK1 (0.44) CTSLCTSBCTSKOPRK1SMN1; SMN2
SCHEMBL9033014 0.87 POLB (0.42) RAB9ACAPN1
SCHEMBL9034272 0.87 ATM (0.45) CTSLCTSBCTSKOPRK1SMN1; SMN2
SCHEMBL9033877 0.86 SMN1; SMN2 (0.44) OPRK1SMN1; SMN2CYP2D6CYP2C9ATM
SCHEMBL9033158 0.85 OPRK1 (0.43) CTSLCTSBCTSKOPRK1SMN1; SMN2

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