SCHEMBL21806210

SCHEMBL21806210

NCCCOCCOCCOCCCNC(=O)c1cc2ccc(OCC(=O)NCCOCCOCCOCCOCCC(=O)O)cc2oc1=O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 7/20 0.46
▸ KMT2A Q03164 1/20 0.44
▸ MAOA P21397 4/20 0.43
▸ CA12 O43570 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA4 P22748 1/20 0.43
▸ CA5A P35218 1/20 0.43
▸ CA7 P43166 1/20 0.43
▸ CA5B Q9Y2D0 1/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ NCF1 P14598 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ AKR1B10 O60218 1/20 0.42
▸ AKR1B1 P15121 1/20 0.42
▸ TSHR P16473 1/20 0.41
▸ RECQL P46063 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
SCHEMBL21909542 0.90 MAOB (0.45) MAOBKMT2AMAOACA12CA1
SCHEMBL21806302 0.90 MAOB (0.52) MAOBMAOACA12CA1CA2
SCHEMBL21806750 0.88 BCHE (0.43) MAOBKMT2AMAOACA12CA1
SCHEMBL21806190 0.87 MAOB (0.42) MAOBKMT2AMAOACA12CA1
Trifluoroacetic Acid SCHEMBL21806629 0.85 AKR1B10 (0.49) MAOBCA12CA1CA2CA4
Trifluoroacetic Acid SCHEMBL21806084 0.85 MAOB (0.48) MAOBMAOACA12CA1CA2
SCHEMBL21806200 0.85 CA12 (0.43) MAOBKMT2AMAOACA12CA1
SCHEMBL21806631 0.85 CA12 (0.47) MAOBCA12CA1CA2CA4
SCHEMBL24012358 0.84 MAOB (0.39) MAOBKMT2AMAOACA12CA1
SCHEMBL21806085 0.81 MAOB (0.44) MAOBMAOACA12CA1CA2

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
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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