SCHEMBL7188650

SCHEMBL7188650

COCCOCCOCO

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TSHR P16473 2/20 0.37
MAPK1 P28482 1/20 0.37
CA2 P00918 1/20 0.37
THRB P10828 1/20 0.33
HTT P42858 1/20 0.33
MAPT P10636 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL12189189 1.00 MEN1 (0.42) MEN1KMT2ATSHRMAPK1CA2
SCHEMBL69831 0.97
Alcohol SCHEMBL11224298 0.84 MEN1 (0.44) MEN1KMT2ATSHRMAPK1CA2
Alcohol SCHEMBL1847595 0.84 MEN1 (0.44) MEN1KMT2ATSHRMAPK1CA2
Alcohol SCHEMBL11224304 0.84 MEN1 (0.44) MEN1KMT2ATSHRMAPK1CA2
Ethylene Glycol SCHEMBL28316673 0.84 MEN1 (0.53) MEN1KMT2ATSHRMAPK1CA2
Methyl Alcohol SCHEMBL9063376 0.83 MEN1 (0.41) MEN1KMT2ATSHRMAPK1CA2
SCHEMBL23647292 0.83 CA2 (0.44) MEN1KMT2ATSHRMAPK1CA2
SCHEMBL5668460 0.83 CA2 (0.44) MEN1KMT2ATSHRMAPK1CA2
SCHEMBL10835191 0.83 CA2 (0.44) MEN1KMT2ATSHRMAPK1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1174489-A1 Process for preparing cutting lubricant fluids Nueva Fl Ibérica, S.A. (ES) 2002-01-23 EP claimed
EP-1343769-B1 BENZOYLPYRIDAZINES MERCK PATENT GMBH (DE) 2010-08-04 EP disclosed
US-7312328-B2 Benzoylpyridazines MERCK PATENT GMBH (DE) 2007-12-25 US disclosed
EP-0697814-B1 POUR-ON FORMULATIONS CONTAININNG POLYMERIC MATERIAL, GLYCOLS AND GLYCERIDES MERCK & CO INC (US) 2003-07-30 EP disclosed
EP-1174489-A1 Process for preparing cutting lubricant fluids Nueva Fl Ibérica, S.A. (ES) 2002-01-23 EP disclosed
US-5516761-A AVERMECTIN COMPOUND USED TO TREAT ECTO- AND ENDOPARASITES IN ANIMALS MERCK & CO., INC. (US) 1996-05-14 US disclosed
EP-0697814-A1 POUR-ON FORMULATIONS CONTAININNG POLYMERIC MATERIAL, GLYCOLS AND GLYCERIDES MERCK & CO. INC. (US) 1996-02-28 EP disclosed
WO-1994026113-A2 POUR-ON FORMULATIONS CONTAININNG POLYMERIC MATERIAL, GLYCOLS AND GLYCERIDES MERCK & CO., INC. (US) 1994-11-24 WO disclosed
EP-0193347-B1 13-SUBSTITUTED DERIVATIVES OF AVERMECTIN AGLYCONES MERCK & CO. INC. (US) 1990-08-29 EP disclosed
EP-0193347-A2 13-Substituted derivatives of avermectin aglycones MERCK & CO. INC. (US) 1986-09-03 EP disclosed
US-4587247-A ANTHELMINTIC, PARASITICIDES MERCK & CO., INC. (US) 1986-05-06 US disclosed