SCHEMBL10487598

SCHEMBL10487598

CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N(CC(=O)OC(C)(C)C)c1ccc(C)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.54
CTSL P07711 5/20 0.54
CTSS P25774 5/20 0.54
CTSB P07858 4/20 0.54
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
RAB9A P51151 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
LMNA P02545 1/20 0.48
SYK P43405 1/20 0.48
CASP3 P42574 2/20 0.43
MME P08473 1/20 0.41
ECE1 P42892 1/20 0.41

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
SCHEMBL10487645 0.89 CTSK (0.49) CTSKCTSLCTSSCTSBMEN1
SCHEMBL10487546 0.88 CTSL (0.59) CTSKCTSLCTSSCTSBCYP3A4
SCHEMBL5966863 0.86 CTSL (0.54) CTSKCTSLCTSSCTSBMEN1
SCHEMBL5967495 0.82 SYK (0.56) CTSKCTSLCTSSCTSBSYK
SCHEMBL25721690 0.80 CTSL (0.59) CTSKCTSLCTSSCTSBCYP3A4
SCHEMBL30863522 0.79 CTSK (0.63) CTSKCTSLCTSSCTSBCYP3A4
SCHEMBL10882861 0.79 CTSL (0.53) CTSKCTSLCTSSCTSBCYP3A4
SCHEMBL10882866 0.79 CTSL (0.53) CTSKCTSLCTSSCTSBCYP3A4
SCHEMBL30143453 0.78 CTSS (0.69) CTSKCTSLCTSSCTSBCYP3A4
SCHEMBL10487543 0.76 CTSK (0.55) CTSKCTSLCTSSCTSBMEN1

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-4820729-A N-substituted-amido-amino acids RORER PHARMACEUTICAL CORPORATION (US) 1989-04-11 US disclosed