SCHEMBL4851869

SCHEMBL4851869

C1=c2cc3c(cc2Cc2ccccc21)=c1ccccc1=C3

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
GPR84 Q9NQS5 1/20 0.32
CYP11B2 P19099 2/20 0.32
CYP11B1 P15538 1/20 0.32
PTGS2 P35354 1/20 0.32
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31

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
SCHEMBL29172622 0.79 TRPA1 (0.41) TRPA1MAOAMAOBGPR84CYP11B2
SCHEMBL4818459 0.74
SCHEMBL17456826 0.72 TRPA1 (0.30) TRPA1CYP11B2
SCHEMBL22371934 0.69
SCHEMBL31072312 0.69
SCHEMBL4851887 0.69
SCHEMBL27991450 0.67 CYP11B2 (0.40) TRPA1MAOAMAOBGPR84CYP11B2
SCHEMBL19810041 0.67 CYP11B1 (0.40) TRPA1MAOAMAOBGPR84CYP11B2
SCHEMBL3215956 0.66 CYP11B2 (0.39) TRPA1MAOAMAOBGPR84CYP11B2
SCHEMBL3215952 0.66 CYP11B2 (0.39) TRPA1MAOAMAOBGPR84CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7470290-B2 Hydroscopic polymer gels for easier cleaning THE CLOROX COMPANY (US) 2008-12-30 US disclosed
US-7183010-B2 Organic light-emitting diode devices with improved operational stability EASTMAN KODAK CORPORATION (US) 2007-02-27 US disclosed
US-20050245428-A1 Hydroscopic polymer gels for easier cleaning RODRIGUES KLIN A 2005-11-03 US disclosed
US-20040076853-A1 Organic light-emitting diode devices with improved operational stability EASTMAN KODAK COMPANY 2004-04-22 US disclosed