SCHEMBL11238643

SCHEMBL11238643

CCCCCCCCO[C@@H]1NC(=O)NC(=O)[C@@]1(F)C(=O)OCC

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.40
ALDH1A1 P00352 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 3/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTT P42858 1/20 0.35
TSHR P16473 1/20 0.34
NAAA Q02083 2/20 0.34
PPARG P37231 2/20 0.33
POLB P06746 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP9 P14780 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
SCHEMBL11243223 1.00 HSD17B10 (0.40) HSD17B10ALDH1A1TDP1LMNAMEN1
SCHEMBL11250294 1.00 HSD17B10 (0.40) HSD17B10ALDH1A1TDP1LMNAMEN1
SCHEMBL11230814 1.00 HSD17B10 (0.40) HSD17B10ALDH1A1TDP1LMNAMEN1
SCHEMBL11236916 0.94 HSD17B10 (0.41) HSD17B10ALDH1A1LMNAMEN1KMT2A
SCHEMBL11253951 0.93 HSD17B10 (0.40) HSD17B10ALDH1A1TDP1LMNAMEN1
SCHEMBL11254230 0.93 HSD17B10 (0.40) HSD17B10ALDH1A1TDP1LMNAMEN1
SCHEMBL11236134 0.90 ALDH1A1 (0.43) HSD17B10ALDH1A1TDP1LMNAMEN1
SCHEMBL11257874 0.88 MEN1 (0.36) HSD17B10ALDH1A1TDP1LMNAMEN1
SCHEMBL11243898 0.84 LMNA (0.35) HSD17B10ALDH1A1TDP1LMNAMEN1
SCHEMBL11240537 0.81 HSD17B10 (0.39) HSD17B10ALDH1A1LMNAMEN1KMT2A

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