SCHEMBL9515694

SCHEMBL9515694

CCOC(=O)N1CCOc2cc(Cl)ccc2Oc2ccccc2CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ MAPT P10636 5/20 0.45
▸ TSHR P16473 3/20 0.45
▸ LMNA P02545 2/20 0.45
▸ CYP3A4 P08684 2/20 0.45
▸ HRH1 P35367 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ SLC6A15 Q9H2J7 2/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ CACNA1F O60840 1/20 0.45
▸ NR1I2 O75469 1/20 0.45
▸ GMNN O75496 1/20 0.45
▸ USP2 O75604 1/20 0.45
▸ ABCB11 O95342 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ CHRM2 P08172 1/20 0.45
▸ ABCB1 P08183 1/20 0.45
▸ ADORA3 P0DMS8 1/20 0.45

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
SCHEMBL9515147 0.79 DRD2 (0.47) ALDH1A1MEN1KMT2AMAPTLMNA
Fumaric Acid SCHEMBL9517664 0.77 HRH2 (0.53) ALDH1A1MEN1KMT2AMAPTLMNA
Maleic Acid SCHEMBL9517655 0.77 HRH2 (0.53) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL9515621 0.74 CYP2D6 (0.51) ALDH1A1TSHRHRH1NPC1CYP2D6
Fumaric Acid SCHEMBL9516875 0.74 CYP2D6 (0.44) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL12065129 0.73 HRH1 (0.61) ALDH1A1MEN1KMT2AMAPTTSHR
SCHEMBL1295044 0.73 ALDH1A1 (0.64) ALDH1A1MEN1KMT2AMAPTTSHR
SCHEMBL11576671 0.73 POLB (0.50) ALDH1A1MEN1KMT2AMAPTTSHR
SCHEMBL9272255 0.73 PTGER1 (0.54) ALDH1A1MEN1KMT2AMAPTTSHR
SCHEMBL13870466 0.72 SLC6A15 (0.62) ALDH1A1MEN1KMT2AMAPTTSHR

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-0423870-B1 DIBENZODIOXAZECINE AND DIBENZODIOXAAZACYCLOUNDECINE DERIVATIVES Akzo Nobel N.V. (NL) 1993-07-14 — — EP disclosed
US-5106839-A DIBENZODIOXAZECINE AND DIBENZODIOXAAZACYCLOUNDECINE DERIVATIVES AKZO N.V. (NL) 1992-04-21 — — US disclosed
EP-0423870-A1 Dibenzodioxazecine and dibenzodioxaazacycloundecine derivatives Akzo Nobel N.V. (NL) 1991-04-24 — — EP disclosed
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