SCHEMBL6610963

SCHEMBL6610963

CCOC(=O)C1(Cc2ccccc2)CC(CC(C)CNC(=O)OCc2ccccc2)=NO1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.39
▸ ATM Q13315 1/20 0.38
▸ SYK P43405 1/20 0.37
▸ CAPN1 P07384 2/20 0.36
▸ CTSL P07711 1/20 0.36
▸ ITGB3 P05106 1/20 0.36
▸ ITGAV P06756 1/20 0.36
▸ LMNA P02545 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ OPRK1 P41145 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ CTSS P25774 1/20 0.35

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
SCHEMBL6610652 0.90 L3MBTL1 (0.39) HSD17B10ATMSYKCAPN1LMNA
SCHEMBL6773117 0.89 SYK (0.42) ATMSYKCTSLLMNACTSS
SCHEMBL6610959 0.78 ATM (0.43) HSD17B10ATMCAPN1CTSLCTSS
SCHEMBL25061660 0.71 TACR1 (0.38) HSD17B10SMN1; SMN2
SCHEMBL25400656 0.71 ADAM17 (0.38) HSD17B10SMN1; SMN2
SCHEMBL7378563 0.70 SYK (0.57) HSD17B10SYKCTSLLMNASMN1; SMN2
SCHEMBL25398090 0.70 TACR1 (0.37) HSD17B10SMN1; SMN2
SCHEMBL27339025 0.70 HSD17B10 (0.52) HSD17B10ATMSYKCTSLLMNA
SCHEMBL6611623 0.69 TSHR (0.40) HSD17B10ATMSYKLMNAMAPK1
SCHEMBL18086889 0.68 CTSK (0.55) HSD17B10SYKCTSLLMNASMN1; SMN2

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
EP-1212309-B1 CASPASE INHIBITOR LG CHEM INVESTMENT LTD (KR) 2004-08-18 — — EP disclosed
US-6747050-B1 INHIBITING THE ACTIVITY OF CASPASES, PREVENTING INFLAMMATION AND APOPTOSIS LG CHEM INVESTMENT LTD. (KR) 2004-06-08 — — US disclosed
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