SCHEMBL21806139

SCHEMBL21806139

CC(C)(C)OC(=O)NCCCOCCOCCOCCCNC(=O)c1cc2ccc(OCC(=O)O)cc2oc1=O

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 7/20 0.48
▸ MAOA P21397 4/20 0.47
▸ NPC1 O15118 1/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.46
▸ AKR1B10 O60218 1/20 0.46
▸ AKR1B1 P15121 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.45
▸ KDM4E B2RXH2 2/20 0.44
▸ GLA P06280 2/20 0.44
▸ GAA P10253 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ HPGD P15428 2/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ BCHE P06276 1/20 0.44
▸ CNR2 P34972 1/20 0.44
▸ TP53 P04637 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43

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
SCHEMBL21806222 0.93 ALDH1A1 (0.48) MAOBMAOANPC1RXFP1AKR1B10
SCHEMBL21806750 0.90 BCHE (0.43) MAOBMAOANPC1RXFP1AKR1B10
SCHEMBL21806302 0.86 MAOB (0.52) MAOBMAOANPC1RXFP1AKR1B10
SCHEMBL21806228 0.85 AKR1B10 (0.59) NPC1AKR1B10AKR1B1ALDH1A1KDM4E
Trifluoroacetic Acid SCHEMBL21806084 0.84 MAOB (0.48) MAOBMAOANPC1RXFP1AKR1B10
SCHEMBL21806218 0.80 MAOB (0.45) MAOBMAOANPC1RXFP1AKR1B10
SCHEMBL15065835 0.79 MAOB (0.57) MAOBMAOAALDH1A1KDM4EGLA
SCHEMBL21806210 0.77 MAOB (0.46) MAOBMAOANPC1RXFP1AKR1B10
SCHEMBL15065793 0.77 MAOB (0.50) MAOBMAOAALDH1A1KDM4EGLA
SCHEMBL21806085 0.76 MAOB (0.44) MAOBMAOANPC1RXFP1AKR1B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210349101-A1 COUMARIN-BASED CROSSLINKING REAGENTS VENTANA MEDICAL SYSTEMS, INC. 2021-11-11 — — US disclosed
CN-113423698-A Coumarin-based crosslinking agents 文塔纳医疗系统公司 2021-09-21 — — CN disclosed
EP-3853214-A1 COUMARIN-BASED CROSSLINKING REAGENTS Ventana Medical Systems, Inc. (US) 2021-07-28 — — EP disclosed
WO-2020058339-A1 COUMARIN-BASED CROSSLINKING REAGENTS VENTANA MEDICAL SYSTEMS, INC. (US) 2020-03-26 — — WO disclosed
WO-2020058339-A1 COUMARIN-BASED CROSSLINKING REAGENTS VENTANA MEDICAL SYSTEMS, INC. (US) 2020-03-26 — — WO disclosed
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