SCHEMBL29652015

SCHEMBL29652015

C#CC(C)C(Cc1ccccc1)C(=O)OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
ALDH1A1 P00352 1/20 0.50
THRB P10828 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
HSD17B10 Q99714 1/20 0.50
ATM Q13315 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
ANPEP P15144 3/20 0.47
CA12 O43570 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
MAPT P10636 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46

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
SCHEMBL10339292 0.86 KMT2A (0.65) MEN1KMT2AALDH1A1THRBCYP2C9
SCHEMBL12552493 0.85 KMT2A (0.64) MEN1KMT2AALDH1A1THRBCYP2C9
SCHEMBL5517229 0.85 KMT2A (0.64) MEN1KMT2AALDH1A1THRBCYP2C9
SCHEMBL4206099 0.85 KMT2A (0.64) MEN1KMT2AALDH1A1THRBCYP2C9
SCHEMBL29652010 0.85 SLC1A3 (0.56) MEN1KMT2ANPC1RAB9ACYP1A2
SCHEMBL12552490 0.83 KMT2A (0.62) MEN1KMT2AALDH1A1THRBCYP2C9
SCHEMBL7431774 0.83 KMT2A (0.62) MEN1KMT2AALDH1A1THRBCYP2C9
SCHEMBL27652873 0.83 MEN1 (0.62) MEN1KMT2AALDH1A1THRBCYP2C9
SCHEMBL5083632 0.81 KMT2A (0.60) MEN1KMT2AALDH1A1THRBCYP2C9
SCHEMBL5083627 0.81 KMT2A (0.60) MEN1KMT2AALDH1A1THRBCYP2C9

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-114516814-A Catalytic asymmetric preparation method of chiral quaternary carbon alpha-amino acid ester compound 中国科学院大连化学物理研究所 2022-05-20 CN disclosed