SCHEMBL28312900

SCHEMBL28312900

CCCCCCC(=O)c1ccc2c(c1)C(CC)(CC)c1cc(C(CC)=NO)ccc1-2

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HSD17B3 P37058 7/20 0.44
▸ STS P08842 4/20 0.38
▸ CA2 P00918 1/20 0.38
▸ S1PR5 Q9H228 2/20 0.37
▸ GAA P10253 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ HTR7 P34969 1/20 0.36
▸ PTGS2 P35354 1/20 0.35

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
SCHEMBL18012831 0.90 GAA (0.40) GAAMEN1KMT2A
SCHEMBL18012830 0.88 HSD17B3 (0.50) HSD17B3STSCA2S1PR5MEN1
SCHEMBL18012829 0.79 CA2 (0.36) HSD17B3STSCA2PTGS2
SCHEMBL28358222 0.77 HSD17B3 (0.45) HSD17B3STSGAAMEN1KMT2A
SCHEMBL19186354 0.77 HPGD (0.41) HSD17B3STSCA2MEN1KMT2A
SCHEMBL18012833 0.76 MAPT (0.40) PTGS2
SCHEMBL10008412 0.75 HSD17B3 (0.48) HSD17B3STSS1PR5HTR7PTGS2
SCHEMBL18012811 0.75 ATM (0.44) GAAMEN1KMT2A
SCHEMBL10008935 0.75 HSD17B3 (0.44) HSD17B3STSS1PR5HTR7PTGS2
SCHEMBL28228004 0.75 HSD17B3 (0.47) HSD17B3STSMEN1KMT2A

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
CN-107250105-B Novel oxime ester derivative compound, Photoepolymerizationinitiater initiater and photo-corrosion-resisting agent composition comprising it 韩国化学研究院 2019-08-20 — — CN disclosed
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