SCHEMBL10889658

SCHEMBL10889658

COc1ccc(O)c(CNc2cc(C)cc(C)n2)c1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.51
GAA P10253 1/20 0.51
CA1 P00915 4/20 0.50
CA2 P00918 4/20 0.50
NPSR1 Q6W5P4 4/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
MAPT P10636 1/20 0.45
PPARG P37231 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
NR2E3 Q9Y5X4 1/20 0.45
NCOR2 Q9Y618 1/20 0.45
HSD17B10 Q99714 1/20 0.44
PHGDH O43175 2/20 0.42
IDH1 O75874 1/20 0.42
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 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
SCHEMBL7157836 0.81 NPSR1 (0.50) LMNAGAANPSR1L3MBTL1MAPT
SCHEMBL10890249 0.79 CA1 (0.63) LMNAGAACA1CA2MAPT
SCHEMBL14773882 0.78 GAA (0.56) LMNAGAACA1CA2L3MBTL1
SCHEMBL10887875 0.73 CA1 (0.66) LMNAGAACA1CA2
SCHEMBL9689593 0.72 CA1 (0.68) LMNAGAACA1CA2MAPT
SCHEMBL10886823 0.72 CA1 (0.72) LMNAGAACA1CA2L3MBTL1
SCHEMBL5713558 0.71 CA1 (0.64) LMNAGAACA1CA2L3MBTL1
SCHEMBL20092723 0.71 CYP1A2 (0.55) LMNAHSD17B10
SCHEMBL18986012 0.71 TSHR (0.51) LMNANPSR1HSD17B10
SCHEMBL15677689 0.70 CA1 (0.61) LMNAGAACA1CA2MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4578390-A SKIN DISORDERS; TOPICAL MERCK & CO., INC. (US) 1986-03-25 US disclosed
EP-0081782-B1 HYDROXYBENZYLAMINO-ARYL COMPOUNDS, PROCESS FOR PREPARING AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME MERCK & CO. INC. (US) 1985-10-30 EP disclosed
EP-0122321-A1 Hydroxybenzylamino derivatives as anti-inflammatory agents MERCK & CO. INC. (US) 1984-10-24 EP disclosed
EP-0081782-A1 Hydroxybenzylamino-aryl compounds, process for preparing and pharmaceutical compositions containing the same MERCK & CO. INC. (US) 1983-06-22 EP disclosed