SCHEMBL7559113

SCHEMBL7559113

C=CC(C)c1ccccc1C(C)C=C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.44
GABRB2 P47870 2/20 0.44
ELANE P08246 1/20 0.41
LMNA P02545 4/20 0.40
TSHR P16473 3/20 0.40
GABRG2 P18507 2/20 0.40
GABRB3 P28472 2/20 0.40
FAAH O00519 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
HPGD P15428 1/20 0.40
GABRB1 P18505 1/20 0.40
PTGS1 P23219 1/20 0.40
SLC6A2 P23975 1/20 0.40
HTR2C P28335 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
HTR2B P41595 1/20 0.40

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
SCHEMBL15914232 0.93 GABRA1 (0.50) GABRA1GABRB2ELANELMNATSHR
SCHEMBL10507496 0.89 GABRA1 (0.58) GABRA1GABRB2ELANELMNATSHR
SCHEMBL11463024 0.85 ESR1 (0.46) GABRA1GABRB2ELANETSHRCA1
SCHEMBL10410201 0.85 ESR1 (0.46) GABRA1GABRB2ELANETSHRCA1
SCHEMBL9203522 0.84 ELANE (0.33) GABRA1GABRB2ELANE
SCHEMBL8113334 0.84 CYP3A4 (0.38) GABRA1GABRB2ELANELMNATSHR
SCHEMBL17417908 0.84 ELANE (0.33) GABRA1GABRB2ELANE
Iodide SCHEMBL11335497 0.80 LMNA (0.41) ELANELMNAHIF1ATRPA1ALDH1A1
SCHEMBL6553219 0.80 MYC (0.39) GABRA1GABRB2ELANETSHRCYP1A2
SCHEMBL17515123 0.80 GABRA1 (0.68) GABRA1GABRB2LMNATSHRGABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0506314-B1 Process for preparing vinylically-unsaturated compounds DOW CHEMICAL CO (US) 2002-01-30 EP disclosed
US-5264646-A Vinylation, benzocyclobutenes, polysiloxanes THE DOW CHEMICAL COMPANY (US) 1993-11-23 US disclosed
US-5243068-A Alkenylation with organic halides THE DOW CHEMICAL COMPANY (US) 1993-09-07 US disclosed
EP-0506314-A2 Process for preparing vinylically-unsaturated compounds THE DOW CHEMICAL COMPANY (US) 1992-09-30 EP disclosed
US-5136069-A Reacting with halogenated organic compound in presence of palladium complex catalyst and inorganic hydrogen halide acceptor THE DOW CHEMICAL COMPANY (US) 1992-08-04 US disclosed