SCHEMBL11312435

SCHEMBL11312435

CC(C)c1cccc(-c2ccc(-c3ccccc3)cc2)c1C(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA12 O43570 1/20 0.45
CA9 Q16790 1/20 0.45
GABRA1 P14867 3/20 0.39
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
GABRB2 P47870 2/20 0.39
FAAH O00519 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
GABRB1 P18505 1/20 0.39
PTGS1 P23219 1/20 0.39
SLC6A2 P23975 1/20 0.39
HTR2C P28335 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39

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
SCHEMBL167079 0.96 CA1 (0.43) CA1CA2CA12CA9GABRA1
Hydrogen Peroxide SCHEMBL9644444 0.94 GABRA1 (0.45) CA1CA2CA12CA9GABRA1
SCHEMBL3697861 0.94 CA1 (0.44) CA1CA2CA12CA9GABRA1
SCHEMBL3689994 0.92 CA1 (0.46) CA1CA2CA12CA9GABRA1
SCHEMBL11313439 0.89 PTPN5 (0.40) CA1CA2CA12CA9GABRA1
Isopropylbenzene SCHEMBL29188650 0.89 CA1 (0.39) CA1CA2CA12CA9GABRA1
SCHEMBL8142318 0.89 CA1 (0.41) CA1CA2CA12CA9GABRA1
SCHEMBL29769741 0.89 CA1 (0.41) CA1CA2CA12CA9GABRA1
SCHEMBL11513836 0.85 CA12 (0.38) CA1CA2CA12CA9LMNA
SCHEMBL13377297 0.84 CA1 (0.40) CA1CA2CA12CA9GABRA1

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
CN-102099411-B Flame retardant radiation curable compositions CYTEC SURFACE SPECIALTIES SA 2013-08-07 CN disclosed
CN-102099411-A Flame retardant radiation curable compositions CYTEC SURFACE SPECIALTIES SA 2011-06-15 CN disclosed
US-4292462-A INSULATORS-COOLANTS FOR TRANSFORMERS RHONE-POULENC INDUSTRIES (FR) 1981-09-29 US disclosed
US-4177156-A SPECIALTY OILS FOR TRANSFORMERS RHONE-POULENC INDUSTRIES (FR) 1979-12-04 US disclosed
US-4119555-A COOLANTS FOR TRANSFORMERS RHONE-POULENC INDUSTRIES (FR) 1978-10-10 US disclosed