SCHEMBL11246998

SCHEMBL11246998

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

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.36
ALDH1A1 P00352 3/20 0.36
LMNA P02545 3/20 0.35
ATM Q13315 1/20 0.34
ESR1 P03372 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ELANE P08246 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
HTT P42858 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
SCHEMBL11257874 0.83 MEN1 (0.36) MEN1KMT2AHSD17B10ALDH1A1LMNA
SCHEMBL11236916 0.79 HSD17B10 (0.41) MEN1KMT2AHSD17B10ALDH1A1LMNA
SCHEMBL11253951 0.78 HSD17B10 (0.40) MEN1KMT2AHSD17B10ALDH1A1LMNA
SCHEMBL11240537 0.77 HSD17B10 (0.39) MEN1KMT2AHSD17B10ALDH1A1LMNA
SCHEMBL11230853 0.76 ADORA2B (0.37) MEN1KMT2AHSD17B10ALDH1A1TDP1
SCHEMBL10920475 0.75 MEN1 (0.41) MEN1KMT2AHSD17B10ALDH1A1LMNA
SCHEMBL11243898 0.73 LMNA (0.35) MEN1KMT2AHSD17B10ALDH1A1LMNA
SCHEMBL11243223 0.72 HSD17B10 (0.40) MEN1KMT2AHSD17B10ALDH1A1LMNA
SCHEMBL11230814 0.72 HSD17B10 (0.40) MEN1KMT2AHSD17B10ALDH1A1LMNA
SCHEMBL11243162 0.72 SMN1; SMN2 (0.36) MEN1KMT2AHSD17B10ALDH1A1LMNA

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.

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