SCHEMBL7657377

SCHEMBL7657377

CC(C)N(C(=O)CNC(=O)OCc1ccccc1)C(C)C

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.61
CTSS P25774 2/20 0.61
CTSB P07858 1/20 0.61
CTSK P43235 1/20 0.61
OPRK1 P41145 1/20 0.54
LMNA P02545 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ALDH1A1 P00352 1/20 0.52
HTT P42858 1/20 0.50
HSD17B10 Q99714 1/20 0.49
KDM1A O60341 1/20 0.48
RCOR1 Q9UKL0 1/20 0.48
ATM Q13315 1/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
CYP3A4 P08684 1/20 0.47
MAPK1 P28482 1/20 0.47

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
SCHEMBL8913074 0.84 CTSL (0.69) CTSLCTSSCTSBCTSKOPRK1
SCHEMBL13707667 0.81 LMNA (0.56) CTSLCTSSCTSBCTSKLMNA
SCHEMBL764273 0.80 CTSL (0.64) CTSLCTSSCTSBCTSKOPRK1
SCHEMBL13257317 0.79 CTSL (0.60) CTSLCTSSCTSBCTSKOPRK1
SCHEMBL11288818 0.79 LMNA (0.55) CTSLCTSSCTSBCTSKLMNA
SCHEMBL12358402 0.79 CTSL (0.60) CTSLCTSSCTSBCTSKOPRK1
SCHEMBL13256477 0.79 CTSL (0.60) CTSLCTSSCTSBCTSKOPRK1
SCHEMBL3361808 0.79 LMNA (0.61) CTSLCTSSCTSBCTSKLMNA
SCHEMBL4462583 0.79 LMNA (0.61) CTSLCTSSCTSBCTSKLMNA
SCHEMBL1722707 0.78 CTSL (0.59) CTSLCTSSCTSBCTSKOPRK1

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
US-6492370-B1 Urea derivatives and pharmaceutical compositions thereof SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-12-10 US disclosed
CN-1299344-A Novel urea derivatives SANTEN PHARCEUMATICAL CO LTD (JP) 2001-06-13 CN disclosed