SCHEMBL17340558

SCHEMBL17340558

CCC(C)C(CNC(=O)OC(C)(C)C)NC(=O)OCc1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.73
CTSS P25774 5/20 0.54
CTSL P07711 4/20 0.54
CTSB P07858 4/20 0.54
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
LMNA P02545 1/20 0.52
CTSK P43235 7/20 0.51
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
RAB9A P51151 1/20 0.47
MAPT P10636 1/20 0.46
ATM Q13315 1/20 0.46

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
SCHEMBL2723731 1.00 SYK (0.73) SYKCTSSCTSLCTSBMEN1
SCHEMBL2723729 1.00 SYK (0.73) SYKCTSSCTSLCTSBMEN1
SCHEMBL18493990 1.00 SYK (0.73) SYKCTSSCTSLCTSBMEN1
SCHEMBL2723154 0.90 SYK (0.71) SYKCTSSCTSLCTSBCTSK
SCHEMBL2725000 0.90 SYK (0.71) SYKCTSSCTSLCTSBCTSK
SCHEMBL2723152 0.90 SYK (0.71) SYKCTSSCTSLCTSBCTSK
SCHEMBL17596414 0.87 CTSS (0.59) SYKCTSSCTSLCTSBMEN1
SCHEMBL17596415 0.87 CTSS (0.59) SYKCTSSCTSLCTSBMEN1
SCHEMBL13174964 0.85 SYK (0.68) SYKCTSSCTSLCTSBMEN1
SCHEMBL10289999 0.85 SYK (0.68) SYKCTSSCTSLCTSBMEN1

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-2955183-A1 CDK INHIBITORS G1 Therapeutics, Inc. (US) 2015-12-16 EP disclosed