SCHEMBL7633110

SCHEMBL7633110

CC1(C)C=CCc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.39
KDM1A O60341 1/20 0.34
CYP3A4 P08684 2/20 0.33
MEN1 O00255 1/20 0.33
CYP2D6 P10635 1/20 0.33
ALOX15 P16050 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
BCHE P06276 1/20 0.33
CHRM5 P08912 1/20 0.33
TSHR P16473 1/20 0.33
ALOX12 P18054 1/20 0.33
NFKB1 P19838 1/20 0.33
MAPK1 P28482 1/20 0.33
PRCP P42785 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33

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
Bicarbonate SCHEMBL18663313 0.91 LMNA (0.35) HTR2AMAPK1
SCHEMBL12506765 0.79 HTR2A (0.37) HTR2AKDM1ACYP3A4MEN1CYP2D6
SCHEMBL3624294 0.77 HTR2A (0.42) HTR2AKDM1ACYP3A4MEN1CYP2D6
SCHEMBL18440513 0.74 KDM1A (0.33) HTR2AKDM1ATSHR
SCHEMBL7064132 0.71 MAPK1 (0.31) MAPK1
SCHEMBL8734318 0.70 PDK2 (0.37) HTR2AMEN1KMT2ATSHRMAPK1
SCHEMBL15667198 0.68 THRB (0.37) MAPK1
SCHEMBL10493508 0.68 PDK2 (0.42) TSHR
Benzene SCHEMBL5499330 0.68 PDK2 (0.36) HTR2ATSHRALOX12
SCHEMBL19690576 0.67 MAPT (0.40) CYP3A4MEN1KMT2ATSHRHSD17B10

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-0781287-B1 METAL (III) COMPLEXES CONTAINING, NON-AROMATIC, ANIONIC, DIENYL GROUPS AND ADDITION POLYMERIZATION CATALYSTS THEREFROM DOW CHEMICAL CO (US) 2002-01-02 EP disclosed
WO-1997048672-A2 SUBSTITUTED TETRAHYDRONAPHTHALENE AND DIHYDRONAPHTHALENE DERIVATIVES HAVING RETINOID AND/OR RETINOID ANTAGONIST-LIKE BIOLOGICAL ACTIVITY ALLERGAN SALES, INC. (US) 1997-12-24 WO disclosed
EP-0781287-A1 METAL (III) COMPLEXES CONTAINING, NON-AROMATIC, ANIONIC, DIENYL GROUPS AND ADDITION POLYMERIZATION CATALYSTS THEREFROM THE DOW CHEMICAL COMPANY (US) 1997-07-02 EP disclosed
US-5541349-A COORDINATION CATALYST COMPLEXES OF GROUP 4 METALS IN THE +2 OR +4 OXIDATION STATE AND BOUND TO CYCLIC, NONCYCLIC, NONAROMATIC, ANIONIC OR DIENYL GROUPS; STABILITY THE DOW CHEMICAL COMPANY (US) 1996-07-30 US disclosed
WO-1996008497-A1 METAL (III) COMPLEXES CONTAINING, NON-AROMATIC, ANIONIC, DIENYL GROUPS AND ADDITION POLYMERIZATION CATALYSTS THEREFROM THE DOW CHEMICAL COMPANY (US) 1996-03-21 WO disclosed
US-5495036-A Metal (III) complexes containing conjugated, non-aromatic anionic II-bound groups and addition polymerization catalysts therefrom THE DOW CHEMICAL COMPANY (US) 1996-02-27 US disclosed
US-4137419-A FROM AN INDENE OR DIHYDRONAPHTHALENE GULF RESEARCH & DEVELOPMENT COMPANY (US) 1979-01-30 US disclosed