SCHEMBL10565152

SCHEMBL10565152

CCOC(=O)Cc1ccc(OCc2ccc(Cl)cc2C(=O)OCC)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
MAOB P27338 3/20 0.46
ALOX5 P09917 1/20 0.45
FFAR1 O14842 3/20 0.44
FFAR4 Q5NUL3 3/20 0.44
PTPN1 P18031 1/20 0.44
NR4A2 P43354 1/20 0.43
S1PR1 P21453 1/20 0.43
LTK P29376 1/20 0.43
TAOK1 Q7L7X3 1/20 0.43
S1PR5 Q9H228 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43
TBXAS1 P24557 1/20 0.42
RXRA P19793 1/20 0.41
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 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
SCHEMBL10563757 0.91 MAPT (0.46) MAPTMAOBALOX5FFAR1FFAR4
SCHEMBL10562286 0.86 MAOB (0.51) MAOBFFAR1FFAR4PTPN1TBXAS1
SCHEMBL10564870 0.83 RXRA (0.61) MAOBFFAR1PTPN1RXRANR1H2
SCHEMBL4415159 0.83 TSHR (0.50) MAOBALOX5FFAR1FFAR4TBXAS1
SCHEMBL10514703 0.82 MAPK1 (0.48) MAPTMAOBCYP4F2CYP4A11ALDH1A1
Methane SCHEMBL10565161 0.82 TSHR (0.49) MAOBALOX5FFAR1FFAR4TBXAS1
SCHEMBL10565958 0.80 ALDH1A1 (0.46) MAPTMAOBTBXAS1RXRAALDH1A1
SCHEMBL10567154 0.79 MAOB (0.51) MAOBFFAR1FFAR4TBXAS1ALDH1A1
SCHEMBL10564801 0.77 MAOB (0.44) MAPTMAOBALOX5TBXAS1CYP4F2
SCHEMBL4417759 0.76 ALDH1A1 (0.48) MAPTALOX5RXRAALDH1A1HPGD

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
US-4816591-A 6,11-dihydrodibenz[b,e]oxepin-acetic acids and derivatives AMERICAN HOECHST CORPORATION (US) 1989-03-28 US disclosed
US-4585788-A 6,11-dihydrodibenz[b,e]oxepin-acetic acids and derivatives AMERICAN HOECHST CORPORATION (US) 1986-04-29 US disclosed
US-4082850-A TOPICAL APPLICATION OF A 6,11-DIHYDROBENZ(B,E)OXEPIN-ALKANOIC ACID OR DERIVATIVES THEREOF AMERICAN HOECHST CORPORATION (US) 1978-04-04 US disclosed