SCHEMBL9749127

SCHEMBL9749127

CC(C)[C@H](CC(=O)O)NC(=O)OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.56
ELANE P08246 2/20 0.55
CASP1 P29466 6/20 0.54
TRPM8 Q7Z2W7 1/20 0.54
CASP3 P42574 1/20 0.54
CTSK P43235 3/20 0.53
CTRB1 P17538 2/20 0.52
PRTN3 P24158 1/20 0.52
CTSL P07711 2/20 0.51
CTSS P25774 2/20 0.51
CTSB P07858 1/20 0.51

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
SCHEMBL19859590 1.00 ATM (0.56) ATMELANECASP1TRPM8CASP3
SCHEMBL3202235 1.00 ATM (0.56) ATMELANECASP1TRPM8CASP3
SCHEMBL15395673 0.90 ATM (0.54) ATMELANETRPM8CTSKCTRB1
SCHEMBL31264459 0.90 CTSL (0.56) ATMELANECASP1TRPM8CASP3
SCHEMBL13202029 0.90 CTSL (0.56) ATMELANECASP1TRPM8CASP3
SCHEMBL9937089 0.89 TRPM8 (0.55) ATMELANECASP1TRPM8CTSK
SCHEMBL9937088 0.89 TRPM8 (0.55) ATMELANECASP1TRPM8CTSK
SCHEMBL9831451 0.89 CTSK (0.46) ATMELANECASP1TRPM8CASP3
SCHEMBL6044628 0.89 PSMB1 (0.58) ATMELANETRPM8CTSKCTRB1
SCHEMBL6044396 0.89 PSMB1 (0.58) ATMELANETRPM8CTSKCTRB1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0219852-B1 CHARTREUSIN DERIVATIVES, SALTS THEREOF, ANTITUMOROUS COMPOSITIONS CONTAINING THE SAME, AND PROCESSES FOR PRODUCING THE SAME ISHIHARA SANGYO KAISHA, LTD. (JP) 1992-02-05 EP disclosed
US-5064945-A Antitumor Agents ISHIHARA SANGYO KAISHA, LTD. (JP) 1991-11-12 US disclosed
US-4927919-A ANTITUMOR AGENTS ISHIHARA SANGYO KAISHA, LTD. (JP) 1990-05-22 US disclosed
EP-0159708-B1 CHARTREUSIN DERIVATIVES, SALTS THEREOF, ANTITUMOROUS COMPOSITIONS CONTAINING THE SAME, AND PROCESSES FOR PRODUING THE SAME ISHIHARA SANGYO KAISHA, LTD. (JP) 1989-12-13 EP disclosed
US-4760136-A Chartreusin derivatives and salts thereof ISHIHARA SANGYO KAISHA, LTD. (JP) 1988-07-26 US disclosed
EP-0219852-A2 Chartreusin derivatives, salts thereof, antitumorous compositions containing the same, and processes for producing the same ISHIHARA SANGYO KAISHA, LTD. (JP) 1987-04-29 EP disclosed
EP-0159708-A2 Chartreusin derivatives, salts thereof, antitumorous compositions containing the same, and processes for produing the same ISHIHARA SANGYO KAISHA, LTD. (JP) 1985-10-30 EP disclosed