SCHEMBL4483184

SCHEMBL4483184

CC(O)COC(Cl)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.50
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HTR2A P28223 2/20 0.41
HRH1 P35367 2/20 0.41
AOC3 Q16853 3/20 0.41
ADRA2A P08913 2/20 0.39
ADRA2C P18825 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HIF1A Q16665 1/20 0.39
RIPK1 Q13546 1/20 0.39
CHRM2 P08172 2/20 0.38
CHRM1 P11229 2/20 0.38
CHRM3 P20309 2/20 0.38
TSHR P16473 2/20 0.38
SCN1A P35498 2/20 0.38
SCN2A Q99250 2/20 0.38
SCN3A Q9NY46 2/20 0.38
CYP1A2 P05177 1/20 0.38
CHRM4 P08173 1/20 0.38

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
SCHEMBL28453256 0.84 HTR2A (0.43) LMNAKDM4EALDH1A1HTR2AHRH1
SCHEMBL10853706 0.80 LMNA (0.53) LMNAKDM4EALDH1A1HTR2AAOC3
SCHEMBL7956561 0.80 LMNA (0.53) LMNAKDM4EALDH1A1HTR2AHRH1
SCHEMBL7960344 0.80 LMNA (0.53) LMNAKDM4EALDH1A1HTR2AHRH1
SCHEMBL7956563 0.80 LMNA (0.53) LMNAKDM4EALDH1A1HTR2AHRH1
Hydrochloric Acid SCHEMBL7763313 0.79 TDP1 (0.42) LMNAKDM4EALDH1A1HTR2AHRH1
SCHEMBL28046650 0.79 KDM4E (0.42) LMNAKDM4EALDH1A1HTR2AHRH1
SCHEMBL16103787 0.77 LMNA (0.50) LMNAKDM4EALDH1A1HTR2AAOC3
SCHEMBL15214945 0.77 LMNA (0.50) LMNAKDM4EALDH1A1HTR2AAOC3
SCHEMBL4594703 0.77 LMNA (0.50) LMNAKDM4EALDH1A1HTR2AAOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2094292-A2 NITRIC OXIDE-BLOCKED CROSS-LINKED TETRAMERIC HEMOGLOBIN Ikor, Inc. (US) 2009-09-02 EP claimed
WO-2008051689-A2 NITRIC OXIDE-BLOCKED CROSS-LINKED TETRAMERIC HEMOGLOBIN IKOR, INC. (US) 2008-05-02 WO claimed