SCHEMBL24760348

SCHEMBL24760348

CCNc1ccc(COC(=O)NCC(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 10/20 0.46
CTSS P25774 6/20 0.44
CTSL P07711 4/20 0.44
ALDH1A1 P00352 1/20 0.42
TPSAB1 Q15661 2/20 0.41
PLG P00747 1/20 0.41
PRSS1 P07477 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
SYK P43405 1/20 0.41
CTSB P07858 1/20 0.41
CAPN1 P07384 1/20 0.41
CAPN2 P17655 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
SCHEMBL22388985 0.86 L3MBTL1 (0.45) CTSKALDH1A1TPSAB1PRSS1MEN1
SCHEMBL24760365 0.86 KCNA5 (0.47) CTSKCTSSCTSLLMNA
SCHEMBL24760536 0.85 ALDH1A1 (0.44) CTSKCTSSCTSLALDH1A1TPSAB1
SCHEMBL24760274 0.84 ALDH1A1 (0.43) CTSKCTSSCTSLALDH1A1TPSAB1
SCHEMBL24760208 0.82 L3MBTL1 (0.48) ALDH1A1TPSAB1PRSS1MEN1LMNA
SCHEMBL25062103 0.82 TOP2A (0.49) CTSKCTSSCTSLTPSAB1PLG
SCHEMBL17448273 0.82 CTSK (0.49) CTSKCTSSCTSLTPSAB1PLG
SCHEMBL19001575 0.82 CTSK (0.44) CTSKCTSSCTSLTPSAB1PLG
SCHEMBL24270673 0.81 L3MBTL1 (0.48) CTSKCTSSCTSLLMNAKMT2A
SCHEMBL20434509 0.81 SCN1A (0.48) CTSKCTSSCTSLTPSAB1PLG

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
WO-2022262789-A1 ANTITUMOR COMPOUND AND USE THEREOF 明慧医药(杭州)有限公司 2022-12-22 WO disclosed