SCHEMBL11243202

SCHEMBL11243202

CCCCCCCCCCCCCCCCCCSC1NC(=O)NC(=O)C1(F)C(=O)OCC

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 4/20 0.34
ALDH1A1 P00352 3/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 2/20 0.32
TSHR P16473 1/20 0.31
DGKA P23743 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL11246583 1.00 HSD17B10 (0.36) HSD17B10SMN1; SMN2LMNAALDH1A1HTT
SCHEMBL11243593 0.85 LMNA (0.33) HSD17B10LMNATSHR
SCHEMBL11241152 0.85 ALDH1A1 (0.38) HSD17B10SMN1; SMN2LMNAALDH1A1HTT
SCHEMBL11243223 0.78 HSD17B10 (0.40) HSD17B10SMN1; SMN2LMNAALDH1A1HTT
SCHEMBL11230814 0.78 HSD17B10 (0.40) HSD17B10SMN1; SMN2LMNAALDH1A1HTT
SCHEMBL11250294 0.78 HSD17B10 (0.40) HSD17B10SMN1; SMN2LMNAALDH1A1HTT
SCHEMBL11238643 0.78 HSD17B10 (0.40) HSD17B10SMN1; SMN2LMNAALDH1A1HTT
SCHEMBL11240689 0.78 ALDH1A1 (0.37) HSD17B10SMN1; SMN2ALDH1A1HTTTDP1
SCHEMBL11249308 0.76 POLB (0.41) SMN1; SMN2ALDH1A1MEN1KMT2APOLB
SCHEMBL11233822 0.74 ALDH1A1 (0.42) HSD17B10SMN1; SMN2LMNAALDH1A1HTT

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