SCHEMBL4612359

SCHEMBL4612359

OC1=CC=C(c2ccc(O)cc2)CC1(Br)Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
ESR1 P03372 5/20 0.37
ESR2 Q92731 4/20 0.37
QDPR P09417 2/20 0.35
KIF11 P52732 1/20 0.32
MMP3 P08254 1/20 0.32
BCL2L1 Q07817 1/20 0.32
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
NPC1 O15118 2/20 0.31
MAPT P10636 2/20 0.31
NFKB1 P19838 2/20 0.31
RAB9A P51151 2/20 0.31
USP2 O75604 1/20 0.31
TP53 P04637 1/20 0.31
PKM P14618 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
ABL1 P00519 1/20 0.31
ABCB1 P08183 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
SCHEMBL1065980 0.77 SMN1; SMN2 (0.39) SMN1; SMN2ESR1ESR2QDPRKIF11
SCHEMBL5077540 0.77 SMN1; SMN2 (0.46) SMN1; SMN2ESR1ESR2QDPRMMP3
SCHEMBL6539105 0.77 SMN1; SMN2 (0.39) SMN1; SMN2ESR1ESR2QDPRMMP3
SCHEMBL18663392 0.73 SMN1; SMN2 (0.36) SMN1; SMN2ESR1ESR2QDPRMMP3
SCHEMBL2720984 0.71 ESR1 (0.56) SMN1; SMN2ESR1ESR2QDPRMMP3
Hydrogen Sulfide SCHEMBL22229827 0.70 MMP3 (0.39) SMN1; SMN2ESR1ESR2QDPRMMP3
SCHEMBL7029555 0.70 SMN1; SMN2 (0.34) SMN1; SMN2ESR1ESR2QDPR
SCHEMBL8735556 0.65 ESR1 (0.37) SMN1; SMN2ESR1ESR2KIF11MMP3
SCHEMBL13859776 0.64 ESR1 (0.46) SMN1; SMN2ESR1ESR2QDPRMMP3
SCHEMBL28347432 0.62 ESR1 (0.56) SMN1; SMN2ESR1ESR2QDPRMMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1375566-B1 PROCESS FOR CONTINUOUS PRODUCTION OF POLYARYLENE SULFIDE PETROLEUM ENERGY CENTER FOUND (JP) 2008-03-12 EP disclosed
US-7026439-B2 Process for continuous production of polyarylene sulfide PETROLEUM ENERGY CENTER (JP) 2006-04-11 US disclosed
US-20040152823-A1 Process for producing polyarylene sulfide IDEMITSU KOSAN CO. LTD. (JP) 2004-08-05 US disclosed
US-20040097697-A1 Process for continuous production of polyarylene sulfide IDEMITSU KOSAN CO. LTD. (JP) 2004-05-20 US disclosed
EP-1375564-A1 PROCESS FOR PRODUCING POLYARYLENE SULFIDE PETROLEUM ENERGY CENTER (JP) 2004-01-02 EP disclosed
EP-1375566-A1 PROCESS FOR CONTINUOUS PRODUCTION OF POLYARYLENE SULFIDE Petroleum Energy Center (JP) 2004-01-02 EP disclosed
EP-0854849-A1 ETHYNYL SUBSTITUTED AROMATIC COMPOUNDS, SYNTHESIS, POLYMERS AND USES THEREOF THE DOW CHEMICAL COMPANY (US) 1998-07-29 EP disclosed
WO-1997010193-A1 ETHYNYL SUBSTITUTED AROMATIC COMPOUNDS, SYNTHESIS, POLYMERS AND USES THEREOF THE DOW CHEMICAL COMPANY (US) 1997-03-20 WO disclosed