SCHEMBL20861592

SCHEMBL20861592

CC1(C)OB(c2cc3c(cc2C=O)OCC3)OC1(C)C

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 3/20 0.40
▸ CHRM2 P08172 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ CHRNB2 P17787 1/20 0.33
▸ CHRM3 P20309 1/20 0.33
▸ CHRNA4 P43681 1/20 0.33
▸ MAPK1 P28482 1/20 0.32
▸ LMNA P02545 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ DYRK1A Q13627 1/20 0.31
▸ DYRK2 Q92630 1/20 0.31
▸ DYRK1B Q9Y463 1/20 0.31
▸ P2RX7 Q99572 1/20 0.30

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
SCHEMBL17397880 0.94 ERN1 (0.40) ERN1CHRM2CHRM1CHRNB2CHRM3
SCHEMBL17397866 0.85 LMNA (0.37) ERN1MAPK1LMNAHPGDP2RX7
SCHEMBL25078221 0.82 P2RX7 (0.35) MAPK1P2RX7
SCHEMBL31394434 0.80 MAPK1 (0.38) MAPK1P2RX7
SCHEMBL17397902 0.80 LMNA (0.47) ERN1MAPK1LMNAHPGDDYRK1A
SCHEMBL22802070 0.78 LPL (0.33) ERN1MAPK1P2RX7
SCHEMBL15056617 0.75 MAPK1 (0.34) ERN1MAPK1P2RX7
SCHEMBL20861650 0.74 ERN1 (0.34) ERN1
SCHEMBL552698 0.72 ERN1 (0.32) ERN1MAPK1P2RX7
SCHEMBL10158242 0.71 MAPK1 (0.36) MAPK1DYRK1ADYRK1BP2RX7

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
EP-3164404-B1 TRICYCLIC BENZOXABOROLES AS ANTIBACTERIAL AGENTS DAIICHI SANKYO CO LTD (JP) 2019-04-03 — — EP disclosed
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