SCHEMBL11143079

SCHEMBL11143079

CCOC(=O)n1ccc(=O)c2cc(O)c(=O)ccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ ALDH1A1 P00352 5/20 0.39
▸ TP53 P04637 1/20 0.39
▸ MAPT P10636 1/20 0.38
▸ TNF P01375 1/20 0.38
▸ BCL2L1 Q07817 1/20 0.37
▸ LPO P22079 4/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ MAPK11 Q15759 1/20 0.36
▸ MAPK14 Q16539 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ MAPK8 P45983 1/20 0.35
▸ GAA P10253 2/20 0.35

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
SCHEMBL11615942 0.78 TNF (0.39) LMNAL3MBTL1ALDH1A1TP53MAPT
SCHEMBL2118407 0.74 CA12 (0.49) LMNAL3MBTL1ALDH1A1MAPTLPO
SCHEMBL20696078 0.72 CA12 (0.47) LMNAL3MBTL1ALDH1A1MAPTLPO
SCHEMBL11621562 0.72 ALDH1A1 (0.48) LMNAALDH1A1MAPTBCL2L1KDM4E
SCHEMBL28828329 0.72 ACHE (0.47) LMNAALDH1A1TP53TNFBCL2L1
SCHEMBL10511129 0.71 KDM4E (0.50) LMNAL3MBTL1ALDH1A1TP53MAPT
SCHEMBL2115772 0.71 CA12 (0.44) LMNAALDH1A1MAPTLPOCYP1A2
SCHEMBL2115310 0.70 NOTUM (0.65) LMNAL3MBTL1ALDH1A1MAPTLPO
SCHEMBL2117087 0.70 OXER1 (0.55) LMNAL3MBTL1ALDH1A1TP53MAPT
SCHEMBL23397297 0.69 NOTUM (0.46) LMNAL3MBTL1ALDH1A1LPOCYP1A2

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
US-4382088-A DIABETIC COMPLICATIONS, ALDOSE REDUCTASE INHIBITORS AYERST, MCKENNA & HARRISON, INC. (CA) 1983-05-03 — — US disclosed
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