SCHEMBL7199456

SCHEMBL7199456

CC1(O)C=CC(c2ccccc2)C=C1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.41
TRPA1 O75762 1/20 0.38
KDM1A O60341 5/20 0.38
MAOA P21397 4/20 0.38
MAOB P27338 4/20 0.38
ALDH1A1 P00352 1/20 0.35
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
SLC18A3 Q16572 1/20 0.32
SLC9A1 P19634 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
CA2 P00918 1/20 0.31

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
SCHEMBL7511837 0.82 KDM1A (0.40) CHRNA7TRPA1KDM1AMAOAMAOB
SCHEMBL222998 0.82 CHRNA7 (0.35) CHRNA7TRPA1KDM1AMAOAMAOB
SCHEMBL7427186 0.80 KDM1A (0.39) CHRNA7TRPA1KDM1AMAOAMAOB
Hydrogen Sulfide SCHEMBL8857190 0.80 CHRNA7 (0.34) CHRNA7TRPA1KDM1AMAOAMAOB
SCHEMBL909812 0.78 CHRNA7 (0.33) CHRNA7TRPA1CA2
SCHEMBL4794111 0.78 KDM1A (0.38) CHRNA7KDM1AMAOAMAOB
SCHEMBL7077759 0.78 KDM1A (0.38) CHRNA7TRPA1KDM1AMAOAMAOB
SCHEMBL5390121 0.78 CHRNA7 (0.33) CHRNA7TRPA1CA2
SCHEMBL909125 0.78 CHRNA7 (0.33) CHRNA7TRPA1ALDH1A1CA2
SCHEMBL746904 0.78 HTR2A (0.38) CHRNA7TRPA1MAOAMAOBCA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2776691-B1 USE OF A FUEL COMPOSITION AFTON CHEMICAL CORP (US) 2018-10-10 EP disclosed
US-9574149-B2 Fuel additive for improved performance of direct fuel injected engines AFTON CHEMICAL CORPORATION (US) 2017-02-21 US disclosed
US-9458400-B2 Fuel additive for improved performance in direct fuel injected engines AFTON CHEMICAL CORPORATION (US) 2016-10-04 US disclosed
US-20140238328-A1 FUEL ADDITIVE FOR IMPROVED PERFORMANCE IN DIRECT FUEL INJECTED ENGINES AFTON CHEMICAL CORPORATION (US) 2014-08-28 US disclosed
US-20130118062-A1 FUEL ADDITIVE FOR IMPROVED PERFORMANCE OF DIRECT FUEL INJECTED ENGINES AFTON CHEMICAL CORPORATION (US) 2013-05-16 US disclosed
EP-1268494-A1 SULFUR SUBSTITUTED ARYLDIFLUOROMETHYLPHOSPHONIC ACIDS AS PTP-1B INHIBITORS Merck Frosst Canada & Co. (CA) 2003-01-02 EP disclosed
WO-2001070753-A1 SULFUR SUBSTITUTED ARYLDIFLUOROMETHYLPHOSPHONIC ACIDS AS PTP-1B INHIBITORS MERCK FROSST CANADA & CO. (CA) 2001-09-27 WO disclosed