SCHEMBL4483187

SCHEMBL4483187

CC(O)C(=O)OC(Cl)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
HCAR2 Q8TDS4 1/20 0.41
LMNA P02545 4/20 0.41
MAPK1 P28482 1/20 0.41
ALOX5 P09917 1/20 0.41
HTT P42858 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
KLK7 P49862 1/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 1/20 0.39
CYP3A4 P08684 1/20 0.39
ADRA2A P08913 1/20 0.38
ADRA2C P18825 1/20 0.38
HIF1A Q16665 1/20 0.38
GAA P10253 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 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
SCHEMBL7284865 0.81 HCAR2 (0.56) KMT2AHCAR2LMNAMAPK1KLK7
SCHEMBL27693738 0.81 ESR1 (0.49) KMT2AHCAR2LMNAMAPK1KLK7
SCHEMBL27261768 0.81 ESR1 (0.49) KMT2AHCAR2LMNAMAPK1KLK7
SCHEMBL10200437 0.81 ESR1 (0.49) KMT2AHCAR2LMNAMAPK1KLK7
SCHEMBL1408551 0.79 ALDH1A1 (0.55) KMT2AHCAR2LMNAMAPK1ALOX5
SCHEMBL984298 0.78 CYP2D6 (0.44) KMT2AHCAR2LMNAMAPK1HTT
SCHEMBL1096587 0.78 CYP2D6 (0.44) KMT2AHCAR2LMNAMAPK1ALDH1A1
SCHEMBL27840777 0.78 CYP2D6 (0.44) KMT2AHCAR2LMNAMAPK1HTT
SCHEMBL24991807 0.76 KMT2A (0.43) KMT2AHCAR2LMNAMAPK1HTT
SCHEMBL28623093 0.76 KMT2A (0.47) KMT2AHCAR2LMNAMAPK1KLK7

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