SCHEMBL28056289

SCHEMBL28056289

Nc1ccccc1C(=O)OC(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.62
HSD17B10 Q99714 11/20 0.62
CFTR P13569 1/20 0.62
HPGD P15428 4/20 0.54
RAB9A P51151 4/20 0.54
TSHR P16473 3/20 0.54
NPC1 O15118 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
GLA P06280 2/20 0.54
TP53 P04637 2/20 0.54
CYP3A4 P08684 1/20 0.54
MAPK1 P28482 1/20 0.54
HIF1A Q16665 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
MAPT P10636 2/20 0.53
GAA P10253 1/20 0.53
KDM4E B2RXH2 7/20 0.53
MEN1 O00255 1/20 0.53
NFKB1 P19838 1/20 0.53

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
SCHEMBL2367627 0.89 ALDH1A1 (0.69) ALDH1A1HSD17B10CFTRHPGDRAB9A
SCHEMBL27422765 0.87 ALDH1A1 (0.67) ALDH1A1HSD17B10CFTRHPGDRAB9A
SCHEMBL5806487 0.84 ALDH1A1 (0.50) ALDH1A1HSD17B10HPGDTSHRNPC1
SCHEMBL10743516 0.84 MAPT (0.60) ALDH1A1HSD17B10CFTRHPGDRAB9A
SCHEMBL27422766 0.84 ALDH1A1 (0.58) ALDH1A1HSD17B10CFTRHPGDRAB9A
SCHEMBL9950596 0.83 ALDH1A1 (0.62) ALDH1A1HSD17B10CFTRHPGDRAB9A
SCHEMBL27404547 0.82 ALDH1A1 (0.48) ALDH1A1HSD17B10HPGDTSHRNPC1
SCHEMBL2709885 0.82 ALDH1A1 (0.66) ALDH1A1HSD17B10CFTRHPGDRAB9A
SCHEMBL7461130 0.80 ALDH1A1 (0.69) ALDH1A1HSD17B10CFTRHPGDRAB9A
SCHEMBL28769543 0.80 ALDH1A1 (0.63) ALDH1A1HSD17B10CFTRHPGDRAB9A

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-105504414-A Rubber for vessel fenders CHONG XISHAN 2016-04-20 CN disclosed