SCHEMBL26195635

SCHEMBL26195635

Cc1cc(=O)oc2cc(OCCNNC(=O)OC(C)(C)C)ccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 2/20 0.58
▸ CA12 O43570 1/20 0.58
▸ CA1 P00915 1/20 0.58
▸ CA9 Q16790 1/20 0.58
▸ MAOB P27338 5/20 0.55
▸ MAOA P21397 4/20 0.55
▸ KDR P35968 1/20 0.53
▸ KMT2A Q03164 5/20 0.53
▸ MEN1 O00255 4/20 0.53
▸ RAB9A P51151 3/20 0.53
▸ NPC1 O15118 2/20 0.52
▸ CASP3 P42574 2/20 0.52
▸ SENP8 Q96LD8 2/20 0.52
▸ SENP7 Q9BQF6 2/20 0.52
▸ SENP6 Q9GZR1 2/20 0.52
▸ TDP1 Q9NUW8 2/20 0.52
▸ ALDH1A1 P00352 4/20 0.51
▸ MAPT P10636 3/20 0.51
▸ HPGD P15428 2/20 0.51
▸ HSD17B10 Q99714 2/20 0.51

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
SCHEMBL12617766 0.88 CYP1A1 (0.60) ARCA12CA1CA9MAOB
SCHEMBL18026505 0.78 CYP1A1 (0.49) ARCA12CA1CA9MAOB
SCHEMBL12617458 0.77 MAOB (0.67) ARMAOBMAOAKMT2AMEN1
SCHEMBL12618036 0.77 AR (0.61) ARCA12CA1CA9MAOB
SCHEMBL2803970 0.77 KMT2A (0.59) ARCA12CA1CA9KDR
SCHEMBL4446592 0.76 AGER (0.60) ARMAOBKMT2AMEN1ALDH1A1
SCHEMBL8187998 0.76 MAOB (0.68) ARMAOBMAOAKMT2AMEN1
SCHEMBL6589340 0.76 MAOB (0.68) ARCA12CA1CA9MAOB
SCHEMBL21724418 0.76 CA12 (0.56) ARCA12CA1CA9KMT2A
SCHEMBL16471370 0.76 CA9 (0.56) ARCA12CA1CA9MAOB

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
WO-2023164193-A1 REAGENTS FOR FLUORESCENT, UV, AND MS LABELING OF O-GLYCANS, AND METHODS OF MAKING AND USING THEM AGILENT TECHNOLOGIES, INC. (US) 2023-08-31 — — WO disclosed
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