SCHEMBL11240537

SCHEMBL11240537

CCCCCCCCOC(=O)C1(F)C(=O)NC(=O)NC1OC(C)=O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NAAA Q02083 3/20 0.36
TSHR P16473 3/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
MMP9 P14780 1/20 0.35
LMNA P02545 2/20 0.35
ALDH1A1 P00352 1/20 0.34
CES2 O00748 1/20 0.34
GPR84 Q9NQS5 1/20 0.34
FAAH O00519 1/20 0.33
EPHX1 P07099 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
SCHEMBL11236916 0.88 HSD17B10 (0.41) HSD17B10MEN1KMT2ANAAATSHR
SCHEMBL11253951 0.86 HSD17B10 (0.40) HSD17B10MEN1KMT2ANAAATSHR
SCHEMBL11254230 0.86 HSD17B10 (0.40) HSD17B10MEN1KMT2ANAAATSHR
SCHEMBL10918279 0.86 ALDH1A1 (0.38) HSD17B10MEN1KMT2ATSHRLMNA
SCHEMBL11257874 0.82 MEN1 (0.36) HSD17B10MEN1KMT2ATSHRMMP2
SCHEMBL11250294 0.81 HSD17B10 (0.40) HSD17B10MEN1KMT2ANAAATSHR
SCHEMBL11230814 0.81 HSD17B10 (0.40) HSD17B10MEN1KMT2ANAAATSHR
SCHEMBL11243223 0.81 HSD17B10 (0.40) HSD17B10MEN1KMT2ANAAATSHR
SCHEMBL11238643 0.81 HSD17B10 (0.40) HSD17B10MEN1KMT2ANAAATSHR
SCHEMBL11245438 0.81 TP53 (0.34)

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