SCHEMBL11799985

SCHEMBL11799985

CC(C)(C)C(C(=O)O)[C@H](NC(=O)OCc1ccccc1)C(=O)ON1C(=O)CCC1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSB P07858 3/20 0.47
CTSK P43235 3/20 0.47
CTSL P07711 3/20 0.47
CAPN1 P07384 3/20 0.45
CCR1 P32246 2/20 0.44
CCNE1 P24864 1/20 0.43
CDK2 P24941 1/20 0.43
GSK3B P49841 1/20 0.43
CASP1 P29466 2/20 0.43
CASP3 P42574 1/20 0.43
CASP7 P55210 1/20 0.43
CASP6 P55212 1/20 0.43
CASP8 Q14790 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
RAB9A P51151 1/20 0.43
CTSS P25774 3/20 0.43
SYK P43405 1/20 0.42

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
SCHEMBL7391427 0.92 CYP3A4 (0.45) CTSBCTSKCTSLCAPN1CCR1
SCHEMBL10357140 0.88 CTSB (0.53) CTSBCTSKCTSLCAPN1CCR1
SCHEMBL4425151 0.88 CTSB (0.53) CTSBCTSKCTSLCAPN1CCR1
SCHEMBL4039888 0.88 CTSB (0.53) CTSBCTSKCTSLCAPN1CCR1
SCHEMBL20529553 0.88 CTRB1 (0.48) CTSBCTSKCTSLCASP1CASP3
SCHEMBL25933042 0.84 CYP3A4 (0.48) CTSBCTSKCTSLCAPN1CCR1
SCHEMBL7325002 0.84 CASP1 (0.46) CTSBCTSKCTSLCCNE1CDK2
SCHEMBL11519751 0.84 CYP3A4 (0.45) CTSBCTSKCTSLCAPN1CCNE1
SCHEMBL6611310 0.83 TRPM8 (0.56) CTSBCTSKCTSLCYP3A4CYP2D6
SCHEMBL3221965 0.83 CTSL (0.52) CTSBCTSKCTSLCAPN1CYP3A4

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
US-3971822-A Aspartyl amide sweetening agents TANABE SEIYAKU CO., LTD. (JA) 1976-07-27 US disclosed