SCHEMBL9754553

COC(=O)C(C(C)C)N(C(=O)CCCCCc1ccccc1)C(=O)C(N)[C@](C)(CO)CNC(=O)[C@H](C)N(C(=O)OCc1ccccc1)C(=O)[C@H](C)N

nearest known ligand 0.34

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	KDM4A	O75164	1/20	0.32

▸	KDM5A	P29375	1/20	0.32

▸	KDM4C	Q9H3R0	1/20	0.32

▸	PHF8	Q9UPP1	1/20	0.32

▸	KDM2A	Q9Y2K7	1/20	0.32

▸	ALOX5	P09917	1/20	0.32

▸	MMP8	P22894	1/20	0.30

▸	MMP14	P50281	1/20	0.30

▸	CASP1	P29466	1/20	0.30

▸	ADRB2	P07550	1/20	0.30

▸	ADRB1	P08588	1/20	0.30

▸	ADRB3	P13945	1/20	0.30

▸	CA2	P00918	1/20	0.30

▸	CA5A	P35218	1/20	0.30

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.

Compound	similarity	top predicted	shared targets
SCHEMBL7327734	0.84	ALOX5 (0.32)	KDM4AKDM5AKDM4CPHF8KDM2A
SCHEMBL9754438	0.78	ALOX5 (0.32)	KDM4AKDM5AKDM4CPHF8KDM2A
SCHEMBL9296616	0.74	CA2 (0.34)	MMP8MMP14CASP1CA2CA5A
SCHEMBL7329900	0.74	MMP8 (0.31)	MMP8MMP14
SCHEMBL7322597	0.73	ALOX5 (0.33)	KDM4AKDM5AKDM4CPHF8KDM2A
SCHEMBL7329315	0.72	ALOX5 (0.37)	KDM4AKDM5AKDM4CPHF8KDM2A
SCHEMBL7328214	0.72	HPGD (0.37)	KDM4AKDM5AKDM4CPHF8KDM2A
SCHEMBL7322813	0.72	CTSD (0.37)	CASP1CA2CA5A
SCHEMBL7324667	0.71	ALOX5 (0.41)	KDM4AKDM5AKDM4CPHF8KDM2A
SCHEMBL27899925	0.71	ABCB1 (0.44)	—

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.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
WO-1991015121-A1	METHOD FOR TREATING FUNGAL INFECTION	SMITHKLINE BEECHAM CORPORATION (US)	1991-10-17	—	—	WO	disclosed