SCHEMBL4448674

SCHEMBL4448674

Cc1ccc(Cl)c(Br)c1Br

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.37
CES1 P23141 1/20 0.33
S1PR1 P21453 1/20 0.33
ALDH1A1 P00352 2/20 0.32
LMNA P02545 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
SCHEMBL31668870 0.82 ALDH1A1 (0.42) CYP3A4ALDH1A1LMNA
SCHEMBL819186 0.82 ALDH1A1 (0.42) CYP3A4ALDH1A1LMNA
SCHEMBL21459542 0.81 NCEH1 (0.37) CYP3A4CES1S1PR1ALDH1A1
SCHEMBL2999591 0.81 ALDH1A1 (0.37) CYP3A4CES1S1PR1ALDH1A1LMNA
SCHEMBL19830027 0.81 CYP3A4 (0.36) CYP3A4CES1S1PR1ALDH1A1LMNA
SCHEMBL29702059 0.81 ALDH1A1 (0.37) CYP3A4CES1S1PR1ALDH1A1LMNA
SCHEMBL31483105 0.77 HTR2A (0.35) CYP3A4CES1S1PR1
SCHEMBL31483162 0.77 CYP3A4 (0.43) CYP3A4CES1S1PR1ALDH1A1LMNA
SCHEMBL31483102 0.77 HTR2A (0.35) CYP3A4CES1S1PR1
SCHEMBL22162367 0.77 HTR2A (0.35) CYP3A4CES1S1PR1

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
US-8513346-B2 Flame retardant composition for use in styrenics CHEMTURA CORPORATION (US) 2013-08-20 US disclosed
US-20120184638-A1 Flame Retardant Composition for Use in Styrenics LANXESS SOLUTIONS US INC. 2012-07-19 US disclosed
EP-2115059-A1 FLAME RETARDANT COMPOSITION FOR USE IN STYRENICS CHEMTURA CORPORATION (US) 2009-11-11 EP disclosed
WO-2008127753-A1 FLAME RETARDANT COMPOSITION FOR USE IN STYRENICS CHEMTURA CORPORATION (US) 2008-10-23 WO disclosed
US-20080221239-A1 Flame retardant composition for use in styrenics RECREATIONAL WATER PRODUCTS, INC. 2008-09-11 US disclosed
EP-0023415-A2 A method of mounting ventilators, lights and the like in sealed relation to an opening and a preformed sealing material for use in such a method COLT INTERNATIONAL HOLDINGS A.G. (CH) 1981-02-04 EP disclosed