SCHEMBL11248704

SCHEMBL11248704

CCCCCCCCOC(=O)C1(F)C(=O)NC(=O)NC1O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.42
NAAA Q02083 3/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MMP9 P14780 1/20 0.38
LMNA P02545 3/20 0.37
GPR84 Q9NQS5 1/20 0.36
EPHX1 P07099 1/20 0.36
FAAH O00519 1/20 0.36
TSHR P16473 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL11246998 0.94 MEN1 (0.37) HSD17B10MEN1KMT2AMMP2MMP3
SCHEMBL11233822 0.84 ALDH1A1 (0.42) HSD17B10MEN1KMT2ALMNATSHR
SCHEMBL11236916 0.84 HSD17B10 (0.41) HSD17B10NAAAMEN1KMT2AMMP2
SCHEMBL11253951 0.83 HSD17B10 (0.40) HSD17B10NAAAMEN1KMT2AMMP2
SCHEMBL11254230 0.83 HSD17B10 (0.40) HSD17B10NAAAMEN1KMT2AMMP2
SCHEMBL11240537 0.82 HSD17B10 (0.39) HSD17B10NAAAMEN1KMT2AMMP2
SCHEMBL11257874 0.78 MEN1 (0.36) HSD17B10MEN1KMT2AMMP2MMP3
SCHEMBL11250294 0.78 HSD17B10 (0.40) HSD17B10NAAAMEN1KMT2AMMP2
SCHEMBL11243223 0.78 HSD17B10 (0.40) HSD17B10NAAAMEN1KMT2AMMP2
SCHEMBL11230814 0.78 HSD17B10 (0.40) HSD17B10NAAAMEN1KMT2AMMP2

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