SCHEMBL5609003

SCHEMBL5609003

C=C(C)C(=O)Oc1ccc(Br)cc1C(C)(C)c1cc(Br)ccc1OC(=O)C(=C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.46
ATM Q13315 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
ELANE P08246 1/20 0.36
USP2 O75604 1/20 0.35
ALPL P05186 1/20 0.35
ALOX15 P16050 1/20 0.35
CFD P00746 2/20 0.35
NCEH1 Q6PIU2 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
MAPK1 P28482 3/20 0.35
RAB9A P51151 2/20 0.35
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 1/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
LMNA P02545 1/20 0.33
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 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
SCHEMBL11185677 0.80 ALDH1A1 (0.48) PTGDR2ATMTDP1ELANEALOX15
SCHEMBL1837592 0.77 HSD17B10 (0.37) PTGDR2ATMELANEALOX15ALDH1A1
SCHEMBL66178 0.77 TDP1 (0.55) ATMTDP1ELANEALDH1A1KMT2A
SCHEMBL29376230 0.77 TDP1 (0.55) ATMTDP1ELANEALDH1A1KMT2A
Ethylene SCHEMBL11046108 0.76 TDP1 (0.54) ATMTDP1ELANEALDH1A1KMT2A
SCHEMBL7073688 0.75 PTGDR2 (0.54) PTGDR2ATMTDP1ELANESMN1; SMN2
SCHEMBL14173139 0.75 ATM (0.43) PTGDR2ATMTDP1ELANEUSP2
SCHEMBL3982874 0.73 PTGDR2 (0.62) PTGDR2ATMTDP1USP2ALPL
SCHEMBL11807412 0.73 ALDH1A1 (0.46) PTGDR2ATMTDP1ELANEALOX15
SCHEMBL26764584 0.73 ELANE (0.46) PTGDR2ATMTDP1ELANEALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1265946-B1 POLY(PHENYLENE ETHER) - POLYVINYL THERMOSETTING RESIN GEN ELECTRIC (US) 2007-03-28 EP disclosed