SCHEMBL6399753

SCHEMBL6399753

CC(C)c1ccccc1C1C=Cc2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.38
GABRA1 P14867 3/20 0.36
GABRB2 P47870 2/20 0.36
FAAH O00519 2/20 0.33
LMNA P02545 2/20 0.33
CYP3A4 P08684 2/20 0.33
SLC6A2 P23975 2/20 0.33
HTR2C P28335 2/20 0.33
HTR2B P41595 2/20 0.33
HTR2A P28223 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
HTR6 P50406 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CYP1A2 P05177 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
GABRB1 P18505 1/20 0.33
PTGS1 P23219 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
SCHEMBL5158379 0.86 SIGMAR1 (0.36) SIGMAR1HTR2AHTR6
Hydrochloric Acid SCHEMBL3211462 0.80 SIGMAR1 (0.33) SIGMAR1ADRA2BADRA2C
SCHEMBL28755427 0.80 NPC1 (0.33) SIGMAR1NFKB1
SCHEMBL3203547 0.79 SIGMAR1 (0.35) SIGMAR1CHRM2CHRM1ADRA2BCHRM3
SCHEMBL3210032 0.79 MEN1 (0.38) SIGMAR1LMNACYP3A4TSHRHIF1A
SCHEMBL3211472 0.78 SIGMAR1 (0.32) SIGMAR1
Hydrochloric Acid SCHEMBL3355962 0.77 SIGMAR1 (0.32) SIGMAR1
Hydrochloric Acid SCHEMBL3259462 0.76 SIGMAR1 (0.31) SIGMAR1
Hydrochloric Acid SCHEMBL3261735 0.76 SIGMAR1 (0.33) SIGMAR1
Hydrochloric Acid SCHEMBL30724641 0.76 GABRA1 (0.39) SIGMAR1GABRA1GABRB2FAAHLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6891005-B2 Bridged metal complexes for gas phase polymerizations BP CHEMICALS LIMITED (GB) 2005-05-10 US disclosed
US-20030199650-A1 Bridged metal complexes for gas phase polymerizations BP CHEMICALS LIMITED 2003-10-23 US disclosed
EP-1119575-B1 BRIDGED METAL COMPLEXES DOW CHEMICAL CO (US) 2003-09-03 EP disclosed
EP-1141034-B1 BRIDGED METAL COMPLEXES FOR GAS PHASE POLYMERIZATIONS BP CHEM INT LTD (GB) 2002-10-30 EP disclosed
EP-1141034-A2 BRIDGED METAL COMPLEXES FOR GAS PHASE POLYMERIZATIONS BP Chemicals Limited (GB) 2001-10-10 EP disclosed
US-6284905-B1 GROUP 4 TRANSITION METAL COMPLEX CONTAINING A BORON OR ALUMINUM BRIDGING GROUP CONTAINING A NITROGEN CONTAINING ELECTRON DONATING GROUP, ESPECIALLY AN AMIDO GROUP; OLEFIN SOLUTION OR SLURRY POLYMERIZATION CATALYSTS THE DOW CHEMICAL COMPANY 2001-09-04 US disclosed
EP-1119575-A1 BRIDGED METAL COMPLEXES THE DOW CHEMICAL COMPANY (US) 2001-08-01 EP disclosed
WO-2000020462-A2 BRIDGED METAL COMPLEXES FOR GAS PHASE POLYMERIZATIONS BP CHEMICALS LIMITED (GB) 2000-04-13 WO disclosed
WO-2000020426-A1 BRIDGED METAL COMPLEXES THE DOW CHEMICAL COMPANY (US) 2000-04-13 WO disclosed