SCHEMBL5330992

SCHEMBL5330992

Cc1c(N=C=O)ccc(C(C)(C)c2ccc(N=C=O)cc2)c1C

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.43
TRPA1 O75762 1/20 0.42
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 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
SCHEMBL10801376 0.78 CYP3A4 (0.42) CYP3A4TRPA1TSHRTDP1ALDH1A1
SCHEMBL305480 0.78 CYP3A4 (0.50) CYP3A4TRPA1TSHRTDP1ALDH1A1
SCHEMBL3177458 0.78 CYP3A4 (0.50) CYP3A4TRPA1TSHRTDP1ALDH1A1
SCHEMBL305469 0.78 CYP3A4 (0.50) CYP3A4TRPA1TSHRTDP1ALDH1A1
SCHEMBL11744067 0.77 CYP3A4 (0.42) CYP3A4TRPA1TSHRTDP1ALDH1A1
SCHEMBL14020958 0.75 CYP3A4 (0.44) CYP3A4TRPA1TSHRTDP1ALDH1A1
SCHEMBL22966408 0.74 CYP3A4 (0.50) CYP3A4TRPA1TSHRTDP1ALDH1A1
SCHEMBL110655 0.74 CYP3A4 (0.73) CYP3A4TRPA1TSHRTDP1ALDH1A1
SCHEMBL31162473 0.74 CYP3A4 (0.73) CYP3A4TRPA1TSHRTDP1ALDH1A1
SCHEMBL22966365 0.73 CYP3A4 (0.45) CYP3A4TRPA1TSHRTDP1ALDH1A1

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
WO-2007145399-A1 ASSOCIATIVE POLYMERIC THICKENER AND SURFACTANT AMOREPACIFIC CORPORATION (KR) 2007-12-21 WO disclosed
CN-1248061-C Dry toner and producing method thereof SEIKI EPSON CO LTD (JP) 2006-03-29 CN disclosed
US-20040188158-A1 Vehicle cockpit assemblies having integrated dash insulators, instrument panels and floor coverings, and methods of installing same within vehicles AURIA SOLUTIONS UK I LTD. (GB) 2004-09-30 US disclosed
CN-1337602-A Dry toner and producing method thereof SEIKI EPSON CO LTD (JP) 2002-02-27 CN disclosed