SCHEMBL18012830

SCHEMBL18012830

CCCCCCC(=O)c1ccc2c(c1)C(CC)(CC)c1cc(C(=O)CC)ccc1-2

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HSD17B3 P37058 7/20 0.50
▸ STS P08842 4/20 0.42
▸ HTR7 P34969 1/20 0.41
▸ S1PR5 Q9H228 1/20 0.41
▸ PTGS2 P35354 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ FFAR1 O14842 1/20 0.39
▸ PLA2G2A P14555 1/20 0.39
▸ PLA2G5 P39877 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ATM Q13315 1/20 0.39

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
SCHEMBL28358222 0.89 HSD17B3 (0.45) HSD17B3STSPTGS2MEN1ALDH1A1
SCHEMBL28312900 0.88 HSD17B3 (0.44) HSD17B3STSHTR7S1PR5PTGS2
SCHEMBL18012811 0.87 ATM (0.44) MEN1ALDH1A1MAPTHTTKMT2A
SCHEMBL10008412 0.81 HSD17B3 (0.48) HSD17B3STSHTR7S1PR5PTGS2
SCHEMBL10008935 0.81 HSD17B3 (0.44) HSD17B3STSHTR7S1PR5PTGS2
SCHEMBL28228004 0.81 HSD17B3 (0.47) HSD17B3STSMEN1ALDH1A1MAPT
SCHEMBL28228075 0.81 HSD17B3 (0.47) HSD17B3STSMEN1ALDH1A1MAPT
SCHEMBL18012749 0.80 PDK2 (0.44) MAPTATM
SCHEMBL30617326 0.80 PDK2 (0.44) MAPTATM
SCHEMBL21551833 0.79 MAPT (0.38) ALDH1A1MAPTHTTKMT2AATM

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
WO-2016126070-A1 NOVEL OXIMESTER DERIVATIVE COMPOUND, AND PHOTOPOLYMERIZATION INITIATOR AND PHOTORESIST COMPOSITION CONTAINING SAME 한국화학연구원 2016-08-11 — — WO disclosed
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