SCHEMBL27965014

SCHEMBL27965014

COC(=O)C(NC(=O)C1(NC(=O)OCc2ccccc2)CCCCC1)C(C)C

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSS P25774 6/20 0.62
CTSL P07711 6/20 0.62
CTSB P07858 5/20 0.62
CTSK P43235 6/20 0.55
TRPM8 Q7Z2W7 1/20 0.46
KYNU Q16719 1/20 0.45
CCR1 P32246 1/20 0.44
CYP3A4 P08684 3/20 0.44
TSHR P16473 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL1840160 1.00 CTSS (0.62) CTSSCTSLCTSBCTSKTRPM8
SCHEMBL27965067 0.92 CTSS (0.63) CTSSCTSLCTSBCTSKCCR1
SCHEMBL1855255 0.92 CTSS (0.63) CTSSCTSLCTSBCTSKCCR1
SCHEMBL1837328 0.85 CTSS (0.62) CTSSCTSLCTSBCTSKCYP3A4
SCHEMBL1841120 0.84 CTSL (0.61) CTSSCTSLCTSBCTSKCYP3A4
SCHEMBL1508888 0.83 CTSS (0.56) CTSSCTSLCTSBCTSKTRPM8
SCHEMBL1508675 0.83 CTSS (0.56) CTSSCTSLCTSBCTSKTRPM8
SCHEMBL1839814 0.83 CTSS (0.47) CTSSCTSLCTSBCTSKMEN1
SCHEMBL28812052 0.83 CTSS (0.47) CTSSCTSLCTSBCTSKMEN1
SCHEMBL1838673 0.81 CTSS (0.48) CTSSCTSLCTSBCTSKCCR1

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
CN-101370773-B Cycloalkanecarboxamide derivative and method for producing same SEIKAGAKU KOGYO CO LTD 2014-04-09 CN disclosed