SCHEMBL94558

SCHEMBL94558

O=C(O)c1ccc(C(=O)O)c(CC(Br)CBr)c1CC(Br)CBr

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.39
ALDH1A1 P00352 10/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 3/20 0.33
MAPT P10636 3/20 0.33
SELL P14151 1/20 0.33
SELP P16109 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA7 P43166 2/20 0.32
CA9 Q16790 2/20 0.32
CA14 Q9ULX7 2/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
HSD17B10 Q99714 3/20 0.32
CYP2C9 P11712 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL96057 0.81 CYP1A2 (0.31) CYP1A2
SCHEMBL27860101 0.77 KDM4E (0.41) ALDH1A1TSHRMAPTCA12CA1
SCHEMBL28237108 0.74 SIRT1 (0.33)
SCHEMBL6690566 0.74 PTPN1 (0.33) TSHRHSD17B10PTPN1
SCHEMBL5245362 0.74 CYP1A2 (0.46) CYP1A2ALDH1A1ALOX15TSHRMAPT
SCHEMBL4380669 0.73 ALDH1A1 (0.34) ALDH1A1TSHR
SCHEMBL28237196 0.73
SCHEMBL1950367 0.72 CYP1A2 (0.44) CYP1A2ALDH1A1ALOX15TSHRCYP2C9
SCHEMBL6690570 0.72
SCHEMBL11649578 0.72 SIRT1 (0.40) ALDH1A1TSHRMAPTHSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8668850-B2 Flame-retarded foamed plastic compositions and shaped articles DAI-ICHI KOGYO SEIYAKU CO., LTD. (JP) 2014-03-11 US claimed
US-8668850-B2 Flame-retarded foamed plastic compositions and shaped articles DAI-ICHI KOGYO SEIYAKU CO., LTD. (JP) 2014-03-11 US disclosed
EP-2426152-A1 FLAME-RETARDANT EXPANDABLE STYRENE RESIN PARTICLES AND METHOD FOR PRODUCING SAME Dai-Ichi Kogyo Seiyaku Co., Ltd. (JP) 2012-03-07 EP disclosed
US-20110319507-A1 FLAME-RETARDED FOAMABLE STYRENE-BASED RESIN BEADS AND PROCESS FOR PRODUCING THE SAME DAI-ICHI KOGYO SEIYAKU CO., LTD. (JP) 2011-12-29 US disclosed
EP-1889869-B1 Flame-retarded foamed plastic compositions and shaped articles DAI ICHI KOGYO SEIYAKU CO LTD (JP) 2009-11-25 EP disclosed
EP-1889869-A1 Flame-retarded foamed plastic compositions and shaped articles Dai-Ichi Kogyo Seiyaku Co., Ltd. (JP) 2008-02-20 EP disclosed
EP-1712586-A1 Flame-retarded foamed plastic compositions and shaped articles Dai-Ichi F R Co., Ltd. (JP) 2006-10-18 EP disclosed
US-20060229372-A1 Flame-retarded foamed plastic compositions and shaped articles DAI-ICHI KOGYO SEIYAKU CO., LTD. (JP) 2006-10-12 US disclosed
US-5002702-A For polypropylene fibers or foils SANDOZ LTD. (CH) 1991-03-26 US disclosed
WO-1980002844-A1 FIRE-PROOF ACRYLIC POLYMERS SANDOZ AG (CH) 1980-12-24 WO disclosed