SCHEMBL7635494

SCHEMBL7635494

CC(C)c1cccc(C(C)(C)C)c1OOc1c(C(C)C)cccc1C(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.40
CYP3A4 P08684 2/20 0.40
GABRA1 P14867 2/20 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
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 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
GABRA2 P47869 1/20 0.40
GABRB2 P47870 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
SCHEMBL14560669 0.86 CA2 (0.39) CA2CYP3A4GABRA1GABRG2GABRB3
SCHEMBL49976 0.85 GABRA1 (0.42) CA2CYP3A4GABRA1GABRG2GABRB3
SCHEMBL9068488 0.80 CA2 (0.34) CA2CYP3A4GABRA1GABRG2GABRB3
SCHEMBL13408064 0.79 ALDH1A1 (0.40) TSHRALDH1A1
SCHEMBL29414888 0.76 GABRA1 (0.46) CA2CYP3A4GABRA1GABRG2GABRB3
SCHEMBL4667743 0.76 GABRA1 (0.46) CA2CYP3A4GABRA1GABRG2GABRB3
SCHEMBL30419675 0.75 GABRA1 (0.43) CA2CYP3A4GABRA1GABRG2GABRB3
SCHEMBL714262 0.75 GABRA1 (0.43) CA2CYP3A4GABRA1GABRG2GABRB3
SCHEMBL19289780 0.74 GABRA1 (0.44) CA2CYP3A4GABRA1GABRG2GABRB3
SCHEMBL1274717 0.73 GABRA1 (0.41) CA2CYP3A4GABRA1GABRG2GABRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6414091-B2 BLEND OF POLYPHENYLENE ETHER AND POLYSILOXANE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-07-02 US disclosed
US-20010014723-A1 Thermoplastic resin, process for producing same and theroplastic resin composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-08-16 US disclosed