SCHEMBL7910356

SCHEMBL7910356

CCc1cc(CO)c(CC)cc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.48
ALOX12 P18054 1/20 0.48
HSP90AA1 P07900 2/20 0.45
HSP90AB1 P08238 2/20 0.45
KDM4E B2RXH2 3/20 0.41
MAPT P10636 3/20 0.41
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 2/20 0.41
POLB P06746 2/20 0.41
THRB P10828 2/20 0.41
KMT2A Q03164 2/20 0.41
HKDC1 Q2TB90 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MCL1 Q07820 2/20 0.41
MAPK1 P28482 2/20 0.41
HTT P42858 2/20 0.41
APEX1 P27695 1/20 0.41
RECQL P46063 1/20 0.41
CACNA1B Q00975 1/20 0.41

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
SCHEMBL9318708 0.90 ALOX15 (0.56) ALOX15ALOX12HSP90AA1HSP90AB1KDM4E
SCHEMBL13608937 0.87 GRIA1 (0.44) ALOX15ALOX12HSP90AA1HSP90AB1KDM4E
SCHEMBL28448063 0.87 GRIA1 (0.44) ALOX15ALOX12HSP90AA1HSP90AB1KDM4E
SCHEMBL1760478 0.84 ALOX15 (0.54) ALOX15ALOX12HSP90AA1HSP90AB1KDM4E
SCHEMBL11038842 0.82 ESR1 (0.48) ALOX15ALOX12HSP90AA1HSP90AB1KDM4E
SCHEMBL6254952 0.82 KLF10 (0.43) ALOX15KDM4EMAPTMEN1ALDH1A1
SCHEMBL6040093 0.79 ALOX15 (0.56) ALOX15ALOX12KDM4EMAPTMEN1
SCHEMBL5676149 0.79 ALOX15 (0.68) ALOX15ALOX12KDM4EMAPTMEN1
SCHEMBL9861549 0.77 HMGCR (0.47) ALOX15KDM4EMAPTMEN1ALDH1A1
SCHEMBL8830418 0.76 KLF10 (0.46) ALOX15KDM4EMAPTMEN1ALDH1A1

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
US-6211328-B1 IN PRESENCE OF AN ACID GUN EI CHEMICAL INDUSTRY CO., LTD (JP) 2001-04-03 US disclosed