SCHEMBL5331232

SCHEMBL5331232

Cc1cc(OCC(=O)O)cc2oc(=O)c(Cc3ccccc3)c(C)c12

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC26A3 P40879 4/20 0.60
ALDH1A1 P00352 9/20 0.60
KDM4E B2RXH2 9/20 0.60
KMT2A Q03164 5/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
MEN1 O00255 4/20 0.60
HPGD P15428 4/20 0.59
PTGDR2 Q9Y5Y4 1/20 0.58
MAPT P10636 2/20 0.57
LMNA P02545 3/20 0.56
HTT P42858 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
GAA P10253 1/20 0.53
PKM P14618 1/20 0.52
THRA P10827 1/20 0.52
THRB P10828 1/20 0.52
SAE1 Q9UBE0 1/20 0.52
UBA2 Q9UBT2 1/20 0.52
ACLY P53396 1/20 0.50

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
SCHEMBL26434307 0.83 ALDH1A1 (0.84) ALDH1A1KDM4EKMT2ASMN1; SMN2MEN1
SCHEMBL5329826 0.82 KDM4E (0.68) ALDH1A1KDM4EKMT2ASMN1; SMN2MEN1
SCHEMBL5327916 0.80 KDM4E (0.81) SLC26A3ALDH1A1KDM4EKMT2ASMN1; SMN2
SCHEMBL6587019 0.77 ALDH1A1 (0.53) ALDH1A1KDM4EKMT2ASMN1; SMN2MEN1
SCHEMBL5361482 0.77 KDM4E (0.61) ALDH1A1KDM4EKMT2AMEN1HPGD
SCHEMBL5329160 0.76 PTGDR2 (0.58) ALDH1A1KDM4EKMT2ASMN1; SMN2MEN1
SCHEMBL5325062 0.76 KDM4E (0.59) ALDH1A1KDM4EKMT2AMEN1HPGD
SCHEMBL14346737 0.74 KDM4E (0.57) ALDH1A1KDM4EKMT2ASMN1; SMN2MEN1
SCHEMBL9834762 0.74 LMNA (0.57) ALDH1A1KDM4EKMT2AHPGDLMNA
SCHEMBL5330434 0.74 KDM4E (0.55) ALDH1A1KDM4EKMT2ASMN1; SMN2MEN1

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
WO-2007144625-A1 2-OXO-2H-CHROMENE COMPOUNDS ARGENTA DISCOVERY LIMITED (GB) 2007-12-21 WO disclosed