SCHEMBL29774152

SCHEMBL29774152

O=C(O)c1ccc2ccc3cc4cc5ccccc5cc4cc3c2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN2D O15399 1/20 0.60
▸ GRIN2A Q12879 1/20 0.60
▸ GRIN2C Q14957 1/20 0.60
▸ PTPN1 P18031 1/20 0.51
▸ PLA2G2D Q9UNK4 1/20 0.51
▸ ALDH1A1 P00352 4/20 0.50
▸ KDM4E B2RXH2 4/20 0.50
▸ HSD17B10 Q99714 3/20 0.50
▸ HPGD P15428 2/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ GLA P06280 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ HIF1A Q16665 1/20 0.48
▸ CYP1B1 Q16678 1/20 0.48
▸ MAPT P10636 1/20 0.47
▸ CES2 O00748 1/20 0.47
▸ CES1 P23141 1/20 0.47
▸ GAA P10253 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
SCHEMBL3368674 0.94 PTPN1 (0.58) GRIN2DGRIN2AGRIN2CPTPN1PLA2G2D
SCHEMBL2469905 0.86 GRIN2D (0.66) GRIN2DGRIN2AGRIN2CPTPN1PLA2G2D
SCHEMBL1246801 0.86 CES2 (0.61) GRIN2DGRIN2AGRIN2CPTPN1ALDH1A1
SCHEMBL27658812 0.86 CES2 (0.61) GRIN2DGRIN2AGRIN2CPTPN1ALDH1A1
SCHEMBL29664937 0.86 CES2 (0.61) GRIN2DGRIN2AGRIN2CPTPN1ALDH1A1
SCHEMBL6947709 0.86 CES2 (0.61) GRIN2DGRIN2AGRIN2CPTPN1ALDH1A1
Hydrochloric Acid SCHEMBL11138411 0.84 CES2 (0.59) GRIN2DGRIN2AGRIN2CPTPN1ALDH1A1
SCHEMBL27780127 0.84 CES2 (0.59) GRIN2DGRIN2AGRIN2CPTPN1ALDH1A1
SCHEMBL11855390 0.84 GRIN2D (0.60) GRIN2DGRIN2AGRIN2CPTPN1PLA2G2D
SCHEMBL10484184 0.83 GRIN2D (0.67) GRIN2DGRIN2AGRIN2CPTPN1PLA2G2D

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-110711189-B Application of compound in medicine 福建省中科生物股份有限公司 2022-07-19 — — CN disclosed
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