SCHEMBL23560803

SCHEMBL23560803

CCOC(=O)C1=CNC(C)(C(=O)OCC)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ BRD4 O60885 1/20 0.40
▸ LMNA P02545 3/20 0.38
▸ POLB P06746 2/20 0.37
▸ TSHR P16473 2/20 0.37
▸ OPRM1 P35372 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ GLA P06280 1/20 0.35
▸ CA12 O43570 3/20 0.35
▸ CA1 P00915 3/20 0.35
▸ CA2 P00918 3/20 0.35
▸ CA7 P43166 3/20 0.35
▸ CA9 Q16790 3/20 0.35
▸ CA14 Q9ULX7 3/20 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
SCHEMBL962304 0.71 BRD4 (0.43) KDM4EMAPTMEN1KMT2AALOX15
SCHEMBL29102194 0.70 KDM4E (0.40) KDM4EMAPTMEN1KMT2AALOX15
SCHEMBL14535333 0.69 — —
SCHEMBL9797391 0.68 KDM4E (0.48) KDM4EMAPTMEN1KMT2AALOX15
SCHEMBL4191233 0.68 KMT2A (0.41) KDM4EMAPTMEN1KMT2AALOX15
SCHEMBL24287193 0.67 POLB (0.42) KDM4EMAPTMEN1KMT2AALOX15
SCHEMBL11295836 0.66 OPRM1 (0.42) KDM4EMAPTMEN1KMT2AALOX15
SCHEMBL4448027 0.66 KMT2A (0.42) KDM4EMAPTMEN1KMT2AALOX15
SCHEMBL22397156 0.66 KMT2A (0.42) KDM4EMAPTMEN1KMT2AALOX15
SCHEMBL10743660 0.66 KDM4E (0.43) KDM4EMAPTMEN1KMT2AALOX15

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-2021121396-A1 TRICYCLIC COMPOUND THAT ACTS AS PLASMA KALLIKREIN INHIBITOR AND USE THEREOF 成都康弘药业集团股份有限公司 2021-06-24 — — WO disclosed
Send feedback