SCHEMBL4566527

SCHEMBL4566527

O=C(O)c1cc(C2CCC3(CC2)CC3)c(C(=O)O)c2c1CC2

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 6/20 0.33
MAPT P10636 1/20 0.33
LNPEP Q9UIQ6 1/20 0.31
CYP2C9 P11712 1/20 0.30
SCN1A P35498 1/20 0.30
SCN7A Q01118 1/20 0.30
SCN5A Q14524 1/20 0.30
SCN2A Q99250 1/20 0.30
SCN8A Q9UQD0 1/20 0.30

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
SCHEMBL12478008 0.84 ACMSD (0.41) MAPT
SCHEMBL253754 0.83 ACMSD (0.43) MAPT
SCHEMBL7119685 0.75 MAPT (0.32) MAPT
SCHEMBL8629633 0.75 MAPT (0.32) MAPT
SCHEMBL4566639 0.71 ACMSD (0.43) MAPT
SCHEMBL8071323 0.70 CAMKK2 (0.39)
SCHEMBL754115 0.69 CYP1A2 (0.39) MAPTCYP2C9
SCHEMBL9338883 0.67 CYP3A4 (0.39) MAPTCYP2C9
SCHEMBL10716396 0.65 CYP3A4 (0.42) MAPT
SCHEMBL30755502 0.65 CYP2C9 (0.41) CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007512578-A 2007-05-17 JP claimed
WO-2005052656-A2 HIGHLY REFLECTIVE OPTICAL FILM OF VOIDED POLYESTER FOR USE IN DISPLAYS EASTMAN KODAK COMPANY (US) 2005-06-09 WO claimed
EP-2013288-A1 SCRATCH-RESISTANT FLAMEPROOF THERMOPLASTIC RESIN COMPOSITION Cheil Industries Inc. (KR) 2009-01-14 EP disclosed
EP-1966304-A1 FLAME RETARDANT THERMOPLASTIC RESIN COMPOSITION Cheil Industries Inc. (KR) 2008-09-10 EP disclosed
WO-2007119920-A1 SCRATCH-RESISTANT FLAMEPROOF THERMOPLASTIC RESIN COMPOSITION CHEIL INDUSTRIES INC. (KR) 2007-10-25 WO disclosed
WO-2007074988-A1 FLAME RETARDANT THERMOPLASTIC RESIN COMPOSITION CHEIL INDUSTRIES INC. (KR) 2007-07-05 WO disclosed