SCHEMBL28307387

SCHEMBL28307387

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

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 4/20 0.38
ALDH1A1 P00352 4/20 0.37
TSHR P16473 2/20 0.33
TET2 Q6N021 1/20 0.31
KDM4E B2RXH2 2/20 0.31
HSD17B10 Q99714 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL28124738 0.85 MCL1 (0.38) MCL1ALDH1A1TSHRKDM4EHSD17B10
SCHEMBL27913451 0.79 TSHR (0.37) MCL1ALDH1A1TSHR
SCHEMBL9400674 0.78 MCL1 (0.36) MCL1
SCHEMBL6247496 0.77 ALDH1A1 (0.44) ALDH1A1TSHRTET2HSD17B10KMT2A
SCHEMBL11651602 0.76 ALDH1A1 (0.39) MCL1ALDH1A1TSHRHSD17B10CYP1A2
SCHEMBL8859404 0.75
SCHEMBL2580189 0.75
SCHEMBL180857 0.74
SCHEMBL1898254 0.74 MGAM (0.52) ALDH1A1TSHRTET2HSD17B10MAPT
SCHEMBL433292 0.73 MCL1 (0.48) MCL1ALDH1A1KDM4EMEN1MAPT

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-105968265-B Processing aid and polymer formulations comprising the processing aid and the method for preparing them 罗姆及哈斯公司 2019-06-21 CN disclosed