SCHEMBL28210809

SCHEMBL28210809

CCOC(=O)C(C(C)=O)C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
NPC1 O15118 1/20 0.49
PIN1 Q13526 2/20 0.46
MMP8 P22894 2/20 0.43
ALDH1A1 P00352 3/20 0.43
TDP1 Q9NUW8 1/20 0.42
TSHR P16473 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
POLB P06746 2/20 0.41
RECQL P46063 1/20 0.40

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
SCHEMBL12264169 0.91 MEN1 (0.53) MEN1KMT2ANPC1PIN1MMP8
SCHEMBL27540519 0.79 PIN1 (0.49) MEN1KMT2ANPC1PIN1MMP8
SCHEMBL7207416 0.79 PIN1 (0.49) MEN1KMT2ANPC1PIN1MMP8
SCHEMBL7682222 0.78 KCNN4 (0.45) MEN1KMT2ANPC1PIN1MMP8
SCHEMBL27690656 0.78 PIN1 (0.47) MEN1KMT2ANPC1PIN1MMP8
SCHEMBL12264172 0.77 CASP1 (0.44) MEN1KMT2ANPC1PIN1MMP8
SCHEMBL7212428 0.77 PIN1 (0.46) MEN1KMT2ANPC1PIN1MMP8
SCHEMBL4603935 0.77 PIN1 (0.46) MEN1KMT2ANPC1PIN1MMP8
SCHEMBL7212419 0.77 PIN1 (0.46) MEN1KMT2ANPC1PIN1MMP8
SCHEMBL7207418 0.74 PIN1 (0.44) MEN1KMT2ANPC1PIN1MMP8

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-107935813-A A kind of preparation method of triphenylchloromethane 苏州艾缇克药物化学有限公司 2018-04-20 CN disclosed