SCHEMBL21806218

SCHEMBL21806218

O=C(O)COc1ccc2cc(C(=O)NCCCOCCOCCOCCCNC(=O)CCN3C(=O)C=CC3=O)c(=O)oc2c1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 11/20 0.45
▸ MAOA P21397 5/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ AKR1B10 O60218 1/20 0.42
▸ AKR1B1 P15121 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41

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
SCHEMBL21806190 0.93 MAOB (0.42) MAOBMAOANPC1RXFP1AKR1B10
SCHEMBL21909036 0.88 MAOB (0.42) MAOBMAOANPC1RXFP1AKR1B10
SCHEMBL24012367 0.85 MAOB (0.38) MAOBAKR1B10AKR1B1ALDH1A1
SCHEMBL21806302 0.83 MAOB (0.52) MAOBMAOANPC1RXFP1AKR1B10
Trifluoroacetic Acid SCHEMBL21806084 0.80 MAOB (0.48) MAOBMAOANPC1RXFP1AKR1B10
SCHEMBL21806139 0.80 MAOB (0.48) MAOBMAOANPC1RXFP1AKR1B10
SCHEMBL21806210 0.79 MAOB (0.46) MAOBMAOANPC1RXFP1AKR1B10
SCHEMBL21909542 0.78 MAOB (0.45) MAOBMAOANPC1RXFP1AKR1B10
SCHEMBL21806750 0.76 BCHE (0.43) MAOBMAOANPC1RXFP1AKR1B10
SCHEMBL24012422 0.74 CA12 (0.37) 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 3 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
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
Send feedback