SCHEMBL5344889

SCHEMBL5344889

CC(C)c1ccccc1-c1cccc2c1C=CC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
GABRA1 P14867 3/20 0.35
GABRB2 P47870 2/20 0.35
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
FAAH O00519 2/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
GABRB1 P18505 1/20 0.35
PTGS1 P23219 1/20 0.35
SLC6A2 P23975 1/20 0.35
HTR2C P28335 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
HTR2B P41595 1/20 0.35
GABRA2 P47869 1/20 0.35

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
SCHEMBL6655311 0.91 CA1 (0.33) CA1CA2GABRA1GABRB2GABRG2
SCHEMBL6909918 0.83 GABRA1 (0.41) CA1CA2GABRA1GABRB2GABRG2
SCHEMBL29767630 0.79 HTR7 (0.38) CA1CA2CYP1A2CYP3A4HPGD
SCHEMBL5344329 0.79 HTR7 (0.38) CA1CA2CYP1A2CYP3A4HPGD
SCHEMBL28424456 0.77 HTR7 (0.37) CA1CA2CYP1A2CYP3A4HPGD
SCHEMBL16332918 0.77 BRD4 (0.36) CA1CA2LMNAHPGDCA12
SCHEMBL7186336 0.76 CA1 (0.32) CA1CA2GABRA1GABRB2GABRG2
SCHEMBL29767639 0.75 PRCP (0.38) HPGD
SCHEMBL5356144 0.75 PRCP (0.38) HPGD
SCHEMBL30930698 0.75 PRKDC (0.34) CA2GABRA1GABRB2TSHRTRPA1

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
US-7297747-B2 Polymerization process and polymer composition EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-11-20 US disclosed
US-7122498-B2 Metallocenes and catalyst compositions derived therefrom EXXONMOBIL CHEMICAL PATENTS INC. (US) 2006-10-17 US disclosed
US-6870016-B1 Polymerization process and polymer composition EXXONMOBIL CHEMICAL PATENTS INC. (US) 2005-03-22 US disclosed
US-20050059785-A1 Polymerization process and polymer composition HART JAMES R (US) 2005-03-17 US disclosed
US-20050054520-A1 Metallocenes and catalyst compositions derived therefrom EXXONMOBIL CHEMICAL PATENT INC. 2005-03-10 US disclosed
EP-1421090-A2 METALLOCENES AND CATALYST COMPOSITIONS DERIVED THEREFROM Exxonmobil Chemical Patents Inc. (US) 2004-05-26 EP disclosed
WO-2003002583-A2 METALLOCENES AND CATALYST COMPOSITIONS DERIVED THEREFROM EXXONMOBIL CHEMICAL PATENTS INC. (US) 2003-01-09 WO disclosed