SCHEMBL11248743

SCHEMBL11248743

CCCCCCCCOC1NC(=O)NC(=O)C1(F)C(=O)OC

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.37
LMNA P02545 1/20 0.36
PPARG P37231 4/20 0.36
PPARD Q03181 2/20 0.36
PPARA Q07869 2/20 0.36
NAAA Q02083 2/20 0.35
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
DNTT P04053 1/20 0.33
GBA1 P04062 1/20 0.33

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
SCHEMBL11243898 0.95 LMNA (0.35) HSD17B10LMNAMMP2MMP3MMP9
SCHEMBL11236916 0.91 HSD17B10 (0.41) HSD17B10LMNANAAAMMP2MMP3
SCHEMBL11230814 0.90 HSD17B10 (0.40) HSD17B10LMNAPPARGPPARDPPARA
SCHEMBL11250294 0.90 HSD17B10 (0.40) HSD17B10LMNAPPARGPPARDPPARA
SCHEMBL11238643 0.90 HSD17B10 (0.40) HSD17B10LMNAPPARGPPARDPPARA
SCHEMBL11243223 0.90 HSD17B10 (0.40) HSD17B10LMNAPPARGPPARDPPARA
SCHEMBL11254230 0.87 HSD17B10 (0.40) HSD17B10LMNANAAAMMP2MMP3
SCHEMBL11253951 0.87 HSD17B10 (0.40) HSD17B10LMNANAAAMMP2MMP3
SCHEMBL11257874 0.85 MEN1 (0.36) HSD17B10LMNAMMP2MMP3MMP9
SCHEMBL11233995 0.82 LMNA (0.35) HSD17B10LMNAPPARGPPARDPPARA

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
US-4329460-A ANTICANCER AGENTS, ANTIVIRAL AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1982-05-11 US claimed
US-4329460-A ANTICANCER AGENTS, ANTIVIRAL AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1982-05-11 US disclosed