SCHEMBL9243180

SCHEMBL9243180

[CH2]c1c(CC)cc(C)cc1CC

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.34
NOS3 P29474 2/20 0.33
NOS2 P35228 2/20 0.33
RXFP1 Q9HBX9 2/20 0.33
ALDH1A1 P00352 2/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
PPARG P37231 1/20 0.33
HTT P42858 1/20 0.33
MAPK10 P53779 1/20 0.33
NCOA2 Q15596 1/20 0.33
NOS1 P29475 1/20 0.32
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32

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
SCHEMBL26617131 0.87 KMT2A (0.39) KMT2ANOS3NOS2RXFP1ALDH1A1
SCHEMBL6003047 0.78 HSPA5 (0.38) KMT2AALDH1A1GAAMAPK1GRIN2D
SCHEMBL1262846 0.77 KMT2A (0.36) KMT2ANOS3NOS2RXFP1ALDH1A1
SCHEMBL3025730 0.74 DHFR (0.36) KMT2ANOS3NOS2RXFP1ALDH1A1
SCHEMBL8082167 0.74 NOS3 (0.38) KMT2ANOS3NOS2RXFP1ALDH1A1
SCHEMBL7950143 0.74 MAPT (0.44) RXFP1ALOX15HTTAMY1AMAPT
SCHEMBL45859 0.72 GABRA1 (0.52) RXFP1ALDH1A1ALOX15ALOX12GAA
SCHEMBL580071 0.72 HTT (0.52) KMT2ANOS3NOS2ALDH1A1ALOX15
SCHEMBL4481186 0.72 KMT2A (0.34) KMT2ANOS3NOS2RXFP1ALDH1A1
SCHEMBL469841 0.72 GABRA1 (0.52) KMT2ANOS3NOS2RXFP1ALDH1A1

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
CN-102264226-B Bicyclooctane-1, the 3-derovatives of phenyl-replacement BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-12-16 CN disclosed
EP-0437186-B1 Melamine derivatives as stabilizers for chlorine containing polymers CIBA GEIGY AG (CH) 1995-12-06 EP disclosed
EP-0365483-B1 Mercaptobenzoic-acid esters used as stabilizers for chlorine-containing polymers CIBA GEIGY AG (CH) 1993-12-29 EP disclosed
US-5272192-A Melamine derivatives as stabilizers for chloride-containing polymers CIBA-GEIGY CORPORATION (US) 1993-12-21 US disclosed
EP-0437186-A1 Melamine derivatives as stabilizers for chlorine containing polymers CIBA-GEIGY AG (CH) 1991-07-17 EP disclosed
US-5030671-A Metal carboxylate and/or phenolate mixture CIBA-GEIGY CORPORATION (US) 1991-07-09 US disclosed
EP-0365483-A1 Mercaptobenzoic-acid esters used as stabilizers for chlorine-containing polymers CIBA-GEIGY AG (CH) 1990-04-25 EP disclosed