SCHEMBL28030637

SCHEMBL28030637

CCCCCCCCc1cccc(C(=O)OCCCC)c1C(=O)OCc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.69
TSHR P16473 4/20 0.69
L3MBTL1 Q9Y468 3/20 0.69
TDP1 Q9NUW8 3/20 0.69
CYP3A4 P08684 2/20 0.69
MAPK1 P28482 2/20 0.69
LMNA P02545 2/20 0.54
TP53 P04637 1/20 0.52
KDM4E B2RXH2 2/20 0.49
HSD17B10 Q99714 2/20 0.49
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
SCN1A P35498 2/20 0.47
SCN2A Q99250 2/20 0.47
SCN3A Q9NY46 2/20 0.47
PPARA Q07869 3/20 0.47
BID P55957 3/20 0.47
MCL1 Q07820 3/20 0.47
BCL2L1 Q07817 2/20 0.47

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
SCHEMBL27371803 0.98 ALDH1A1 (0.65) ALDH1A1TSHRL3MBTL1TDP1CYP3A4
SCHEMBL27769244 0.95 ALDH1A1 (0.72) ALDH1A1TSHRL3MBTL1TDP1CYP3A4
SCHEMBL303688 0.92 TSHR (0.56) ALDH1A1TSHRL3MBTL1TDP1CYP3A4
SCHEMBL2946256 0.91 ALDH1A1 (0.68) ALDH1A1TSHRL3MBTL1TDP1CYP3A4
SCHEMBL3203136 0.91 TSHR (0.63) ALDH1A1TSHRL3MBTL1TDP1CYP3A4
SCHEMBL11153532 0.91 ALDH1A1 (0.61) ALDH1A1TSHRL3MBTL1TDP1CYP3A4
SCHEMBL1985932 0.91 ALDH1A1 (0.61) ALDH1A1TSHRL3MBTL1TDP1CYP3A4
SCHEMBL1164650 0.90 ALDH1A1 (0.59) ALDH1A1TSHRL3MBTL1TDP1CYP3A4
SCHEMBL27694491 0.89 ALDH1A1 (0.64) ALDH1A1TSHRL3MBTL1TDP1CYP3A4
SCHEMBL28777482 0.89 TSHR (0.62) ALDH1A1TSHRL3MBTL1TDP1CYP3A4

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-102815024-B Heat-transfer label assembly and the equipment for applying heat transfer label AVERY DENNISON CORP. (US) 2015-10-28 CN disclosed