SCHEMBL3669618

SCHEMBL3669618

CC1=C(CCc2cccc(C)c2CCC2=C(C)C(=O)NC2=O)C(=O)NC1=O

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DAO P14920 4/20 0.34
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GPR84 Q9NQS5 1/20 0.33
TAAR1 Q96RJ0 3/20 0.32
RXFP1 Q9HBX9 1/20 0.32
TSHR P16473 1/20 0.31
AR P10275 1/20 0.31
HPGD P15428 1/20 0.30
ELANE P08246 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 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
SCHEMBL3676317 0.83 DAO (0.31) DAO
SCHEMBL3672110 0.83 GSK3B (0.37) DAOKDM4EGPR84TAAR1HPGD
SCHEMBL1133477 0.79 DAO (0.34) DAOKDM4EHSD17B10GPR84TAAR1
SCHEMBL8443626 0.75 PTPN2 (0.35)
SCHEMBL3677368 0.73 XIAP (0.42) DAOGPR84TAAR1RXFP1
SCHEMBL3674394 0.72 DAO (0.36) DAOGPR84TAAR1
SCHEMBL3678051 0.72 DAO (0.35) DAOGPR84TAAR1
SCHEMBL3677288 0.72 NR3C2 (0.36) DAOGPR84
SCHEMBL1133697 0.71 ELANE (0.33) DAOELANE
SCHEMBL1132986 0.71 GSK3B (0.38) DAOKDM4EARHPGDELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020246527-A1 TRISULFIDE COMPOUND 住友化学株式会社 2020-12-10 WO disclosed
US-8672011-B2 Rubber composition for bead apex and tire having bead apex prepared using same SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2014-03-18 US disclosed
US-20130075010-A1 RUBBER COMPOSITION FOR BEAD APEX AND TIRE HAVING BEAD APEX PREPARED USING SAME SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2013-03-28 US disclosed
US-8383711-B2 Rubber composition for tire SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2013-02-26 US disclosed
EP-2009049-B1 RUBBER COMPOSITION FOR BEAD APEX AND TIRE WITH BEAD APEX UTILIZING THE SAME SUMITOMO RUBBER IND (JP) 2012-11-14 EP disclosed
US-20100224299-A1 RUBBER COMPOSITION FOR TIRE SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2010-09-09 US disclosed
US-20100175805-A1 RUBBER COMPOSITION FOR COVERING TEXTILE CORD AND TIRE EMPLOYING THE SAME SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2010-07-15 US disclosed
US-20090151844-A1 Rubber Composition for Bead Apex and Tire Having Bead Apex Prepared Using Same SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2009-06-18 US disclosed
EP-2009049-A1 RUBBER COMPOSITION FOR BEAD APEX AND TIRE WITH BEAD APEX UTILIZING THE SAME Sumitomo Rubber Industries, Ltd. (JP) 2008-12-31 EP disclosed