SCHEMBL9858715

SCHEMBL9858715

CC(C)(C)c1cc(Br)c(OCCOc2c(Br)cc(C(C)(C)C)cc2Br)c(Br)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
HRH3 Q9Y5N1 2/20 0.41
HIF1A Q16665 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KLK1 P06870 1/20 0.39
THRB P10828 7/20 0.39
THRA P10827 6/20 0.39
TLR4 O00206 3/20 0.37
CD14 P08571 3/20 0.37
LY96 Q9Y6Y9 3/20 0.37
ELANE P08246 1/20 0.36
CD69 Q07108 1/20 0.36
CYP3A4 P08684 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
ALOX12 P18054 1/20 0.35

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
SCHEMBL31525571 0.90 ALDH1A1 (0.47) ALDH1A1HRH3HIF1ACYP1A2CYP2D6
SCHEMBL815088 0.85 KDM4E (0.45) ALDH1A1HRH3CYP1A2CYP2D6CYP2C19
SCHEMBL815368 0.84 MAPT (0.48) ALDH1A1HRH3HIF1ACYP1A2CYP2D6
SCHEMBL13865263 0.83 ALDH1A1 (0.37) ALDH1A1HRH3HIF1ACYP1A2CYP2D6
SCHEMBL23014691 0.82 ALDH1A1 (0.44) ALDH1A1HRH3HIF1ACYP1A2CYP2D6
SCHEMBL4853420 0.80 RXRA (0.44) ALDH1A1HIF1ACYP1A2CYP2D6CYP2C9
SCHEMBL6473245 0.79 RXRA (0.46) ALDH1A1HRH3HIF1ACYP1A2CYP2D6
SCHEMBL6336071 0.78 ALDH1A1 (0.56) ALDH1A1HRH3HIF1AKLK1THRB
SCHEMBL8858958 0.78 ALDH1A1 (0.60) ALDH1A1HRH3HIF1AKLK1THRB
SCHEMBL6472679 0.77 THRA (0.46) ALDH1A1KLK1THRBTHRATLR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0192885-B1 HALOGENATED BISPHENOL A ETHER FLAME RETARDANT FOR ABS POLYMERS GREAT LAKES CHEMICAL CORPORATION (US) 1991-03-13 EP disclosed
EP-0192885-A2 Halogenated bisphenol a ether flame retardant for ABS polymers GREAT LAKES CHEMICAL CORPORATION (US) 1986-09-03 EP disclosed
US-4567218-A ACRYLONITRILE-BUTADIENE-STRYENE TERPOLYMER GREAT LAKES CHEMICAL CORPORATION (US) 1986-01-28 US disclosed