SCHEMBL28026155

SCHEMBL28026155

CCCOC(=O)c1cccc(C)c1OC(=O)CC

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.57
TSHR P16473 7/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
TDP1 Q9NUW8 3/20 0.46
MAPK1 P28482 3/20 0.45
CYP3A4 P08684 2/20 0.45
TP53 P04637 1/20 0.45
HSD17B10 Q99714 4/20 0.44
KDM4E B2RXH2 4/20 0.44
LMNA P02545 2/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
MAOB P27338 1/20 0.42
PDK2 Q15119 1/20 0.41
POLB P06746 1/20 0.40
ESR1 P03372 1/20 0.40
CHRM1 P11229 1/20 0.40
SLC6A2 P23975 1/20 0.40
KDR P35968 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
SCHEMBL28026736 0.92 TSHR (0.59) ALDH1A1TSHRL3MBTL1TDP1MAPK1
SCHEMBL28026633 0.90 TSHR (0.56) ALDH1A1TSHRL3MBTL1CYP3A4HSD17B10
SCHEMBL29196228 0.85 ALDH1A1 (0.64) ALDH1A1TSHRL3MBTL1TDP1MAPK1
SCHEMBL16572842 0.84 ALDH1A1 (0.62) ALDH1A1TSHRL3MBTL1TDP1MAPK1
SCHEMBL28821652 0.83 ALDH1A1 (0.56) ALDH1A1TSHRL3MBTL1TDP1CYP3A4
SCHEMBL28020064 0.81 TSHR (0.59) ALDH1A1TSHRL3MBTL1TDP1MAPK1
SCHEMBL14382477 0.80 KDM4E (0.68) ALDH1A1L3MBTL1TDP1MAPK1CYP3A4
SCHEMBL28020515 0.80 ALDH1A1 (0.57) ALDH1A1TSHRL3MBTL1TDP1MAPK1
SCHEMBL28026170 0.80 ALDH1A1 (0.44) ALDH1A1L3MBTL1HSD17B10KDM4EHPGD
SCHEMBL1751993 0.79 SMN1; SMN2 (0.62) ALDH1A1TSHRL3MBTL1HSD17B10KDM4E

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-104829757-A Salicylate-compound-containing solid catalyst component for olefin polymerization, and preparation method and application thereof CHINESE ACAD INST CHEMISTRY 2015-08-12 CN disclosed