SCHEMBL7489909

SCHEMBL7489909

[CH2]CCCc1cc(C)c(C)cc1C

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 1/20 0.33
PGK1 P00558 1/20 0.31
PGK2 P07205 1/20 0.31
TAAR1 Q96RJ0 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
SCHEMBL3199545 0.79 NPSR1 (0.50) NPSR1ALDH1A1PGK1PGK2TAAR1
SCHEMBL29737291 0.79 NPSR1 (0.50) NPSR1ALDH1A1PGK1PGK2TAAR1
SCHEMBL1611469 0.77
SCHEMBL11796970 0.76 NPSR1 (0.40) NPSR1ALDH1A1PGK1PGK2TAAR1
SCHEMBL12802127 0.76 TLR8 (0.39) NPSR1ALDH1A1
SCHEMBL1609492 0.76 PYCR1 (0.40) ALDH1A1TAAR1
SCHEMBL1610116 0.76 TAAR1 (0.59) ALDH1A1TAAR1
SCHEMBL5015046 0.74 ALDH1A1 (0.39) NPSR1ALDH1A1PGK1PGK2
SCHEMBL1611171 0.73 PGK1 (0.31) PGK1PGK2
SCHEMBL2089708 0.73 DHFR (0.35) TAAR1

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2621922-A1 A PROCESS FOR THE SYNTHESIS OF THIO-TRIAZOLO-GROUP CONTAINING COMPOUNDS BASF SE (DE) 2013-08-07 EP disclosed
WO-2012041858-A1 A PROCESS FOR THE SYNTHESIS OF THIO-TRIAZOLO-GROUP CONTAINING COMPOUNDS BASF SE (DE) 2012-04-05 WO disclosed
EP-0711759-B1 Pyridazinones and their use as fungicides DOW AGROSCIENCES LLC (US) 2002-01-09 EP disclosed
EP-0576199-B1 Fungicidal and herbicidal triazoles ROHM & HAAS (US) 2001-08-01 EP disclosed
US-5958925-A Pyridazinones and their use as fungicides ROHM AND HAAS COMPANY (US) 1999-09-28 US disclosed
US-5935961-A COMPOUNDS SUCH AS N-METHYL 2-(2-(6'-(3?,4?-DICHLOROPHENYL)-PYRIDAZIN-3'-ON-2'YL)-METHYLPHENYL)-2 -METHOXYIMINOACETAMIDE USEFUL AGAINST POWDERY MILDEW, BLIGHT IN CUCUMBERS, TOMATOES, AND WHEAT FOR EXAMPLE ROHM AND HAAS COMPANY (US) 1999-08-10 US disclosed
US-5763440-A Pyridazinones and their use as fungicides ROHM AND HAAS COMPANY (US) 1998-06-09 US disclosed
US-5635494-A CONTROLLING PHYTOPATHOGENIC FUNGI, INSECTS ROHM AND HAAS COMPANY (US) 1997-06-03 US disclosed
US-5624916-A Fungicidal 1,2,4-triazoles ROHM AND HAAS COMPANY (US) 1997-04-29 US disclosed
EP-0738716-A2 Dihydropyridazinones and pyridazinones and their use as fungicides and insecticides ROHM AND HAAS COMPANY (US) 1996-10-23 EP disclosed
US-5397768-A 1,2,4-triazoles ROHM AND HAAS COMPANY (US) 1995-03-14 US disclosed
US-5364870-A For plants ROHM AND HAAS COMPANY (US) 1994-11-15 US disclosed
US-5358939-A For applying to soils, seeds, plants, or for storage of cereal grains ROHM AND HAAS COMPANY (US) 1994-10-25 US disclosed
EP-0576199-A2 Fungicidal and herbicidal triazoles ROHM AND HAAS COMPANY (US) 1993-12-29 EP disclosed
EP-0576201-A2 Fungicidal 1,2,4-triazoles ROHM AND HAAS COMPANY (US) 1993-12-29 EP disclosed
EP-0575122-A2 Fungicidal (2-aryl-2-substituted) ethyl-1,2,4-triazoles ROHM AND HAAS COMPANY (US) 1993-12-22 EP disclosed
US-5264415-A 1,2,4-Triazole derivatives ROHM AND HAAS COMPANY (US) 1993-11-23 US disclosed
US-5252594-A Broad spectrum, systemic ROHM AND HAAS COMPANY (US) 1993-10-12 US disclosed
US-5192783-A Fungicides for plants ROHM AND HAAS COMPANY (US) 1993-03-09 US disclosed
US-4366165-A 1 and 4-Arylcyanoalkyl-1,2,4-triazoles and fungicidal use ROHM AND HAAS COMPANY (US) 1982-12-28 US disclosed