SCHEMBL9577503

SCHEMBL9577503

CCC(C(=O)O)C(O)c1cccc(OCc2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
NR4A2 P43354 1/20 0.55
MAOB P27338 2/20 0.52
MEN1 O00255 2/20 0.52
ALOX5 P09917 1/20 0.52
SRD5A2 P31213 1/20 0.49
MME P08473 1/20 0.48
ACE P12821 1/20 0.48
CPA1 P15085 1/20 0.48
ACE2 Q9BYF1 1/20 0.48
TSHR P16473 2/20 0.47
SMPD1 P17405 1/20 0.47
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
GPR132 Q9UNW8 1/20 0.46

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
SCHEMBL5911726 0.83 KMT2A (0.62) KMT2ASMN1; SMN2NR4A2MAOBMEN1
SCHEMBL5772077 0.83 KMT2A (0.62) KMT2ASMN1; SMN2NR4A2MAOBMEN1
SCHEMBL2381049 0.83 KMT2A (0.60) KMT2ASMN1; SMN2NR4A2MAOBMEN1
SCHEMBL11603161 0.82 KMT2A (0.63) KMT2ASMN1; SMN2NR4A2MAOBMEN1
SCHEMBL20604382 0.81 KMT2A (0.62) KMT2ASMN1; SMN2NR4A2MAOBMEN1
SCHEMBL20604383 0.81 KMT2A (0.62) KMT2ASMN1; SMN2NR4A2MAOBMEN1
SCHEMBL20816018 0.81 KMT2A (0.57) KMT2ASMN1; SMN2NR4A2MAOBMEN1
SCHEMBL4596162 0.81 KMT2A (0.57) KMT2ASMN1; SMN2NR4A2MAOBMEN1
SCHEMBL5494784 0.81 KMT2A (0.64) KMT2ASMN1; SMN2NR4A2MAOBMEN1
SCHEMBL28290141 0.81 KMT2A (0.57) KMT2ASMN1; SMN2NR4A2MAOBMEN1

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-5214069-A Lipoxygenase inhibitors IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-05-25 US disclosed