SCHEMBL9034601

SCHEMBL9034601

CCOC(=O)C(NC(=O)OCc1ccccc1)C(O)c1ccc(CN2CC=CCC2)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 3/20 0.40
CTSB P07858 3/20 0.40
CTSK P43235 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
RAB9A P51151 1/20 0.39
ATM Q13315 1/20 0.38
CTSS P25774 3/20 0.38
BCHE P06276 2/20 0.38
ACHE P22303 2/20 0.38
CACNA1F O60840 1/20 0.38
CACNA1D Q01668 1/20 0.38
CACNA1S Q13698 1/20 0.38
CACNA1C Q13936 1/20 0.38
CAPN1 P07384 2/20 0.38
CCR1 P32246 2/20 0.38
LMNA P02545 2/20 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
SCHEMBL9032737 0.89 CTSL (0.44) CTSLCTSBCTSKSMN1; SMN2CYP3A4
SCHEMBL9031818 0.89 CTSL (0.44) CTSLCTSBCTSKSMN1; SMN2CYP3A4
SCHEMBL9033014 0.85 POLB (0.42) RAB9ACAPN1LMNAMEN1KMT2A
SCHEMBL9033094 0.80 ITGB3 (0.45) CTSLCTSBCTSKSMN1; SMN2CYP3A4
SCHEMBL9033818 0.79 CTSL (0.45) CTSLCTSBCTSKSMN1; SMN2CYP3A4
SCHEMBL9033091 0.78 CTSL (0.46) CTSLCTSBCTSKSMN1; SMN2CYP3A4
SCHEMBL9034593 0.76 CYP3A4 (0.39) CTSLCTSBCTSKSMN1; SMN2CYP3A4
SCHEMBL8697846 0.76 OPRK1 (0.44) CTSLCTSBCTSKSMN1; SMN2CYP3A4
SCHEMBL9033877 0.76 SMN1; SMN2 (0.44) SMN1; SMN2CYP2D6CYP2C9ATMLMNA
SCHEMBL9034272 0.75 ATM (0.45) CTSLCTSBCTSKSMN1; SMN2CYP3A4

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