SCHEMBL28259523

SCHEMBL28259523

Nc1ccccc1C(=O)OC(=O)/C=C\C(=O)O.[CaH2]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.50
HSD17B10 Q99714 10/20 0.50
CFTR P13569 1/20 0.50
TSHR P16473 3/20 0.46
HPGD P15428 5/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
GLA P06280 2/20 0.45
TP53 P04637 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPK1 P28482 1/20 0.45
HIF1A Q16665 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAPT P10636 3/20 0.45
KDM4E B2RXH2 7/20 0.44
MEN1 O00255 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44

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
SCHEMBL23357451 0.98 ALDH1A1 (0.51) ALDH1A1HSD17B10CFTRTSHRHPGD
SCHEMBL33469 0.86 HCAR2 (0.50) ALDH1A1HSD17B10TSHRHPGDSMN1; SMN2
SCHEMBL2849416 0.83 MAPT (0.64) ALDH1A1HSD17B10CFTRTSHRHPGD
SCHEMBL2849418 0.83 MAPT (0.64) ALDH1A1HSD17B10CFTRTSHRHPGD
SCHEMBL28839863 0.82 ALDH1A1 (0.56) ALDH1A1HSD17B10CFTRTSHRHPGD
SCHEMBL7299840 0.80 HPGD (0.51) ALDH1A1HSD17B10TSHRHPGDSMN1; SMN2
SCHEMBL2367627 0.78 ALDH1A1 (0.69) ALDH1A1HSD17B10CFTRTSHRHPGD
SCHEMBL21694738 0.78 ALDH1A1 (0.58) ALDH1A1HSD17B10CFTRTSHRHPGD
SCHEMBL240024 0.77 HSD17B10 (0.65) ALDH1A1HSD17B10TSHRHPGDSMN1; SMN2
SCHEMBL28056289 0.77 ALDH1A1 (0.62) ALDH1A1HSD17B10CFTRTSHRHPGD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108892453-A A kind of dry concrete applied to airplane parking area 北京建工新型建材有限责任公司 2018-11-27 CN claimed
CN-108793894-A A kind of Barite anti-radiation concrete 北京建工新型建材有限责任公司 2018-11-13 CN claimed
CN-108892453-A A kind of dry concrete applied to airplane parking area 北京建工新型建材有限责任公司 2018-11-27 CN disclosed
CN-108793894-A A kind of Barite anti-radiation concrete 北京建工新型建材有限责任公司 2018-11-13 CN disclosed