SCHEMBL8944974

SCHEMBL8944974

O=C(O)c1ccc(C(=O)OC(=O)c2cccc(C(=O)Oc3cccc4ccccc34)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.57
KMT2A Q03164 6/20 0.54
HSD17B10 Q99714 4/20 0.54
ESR1 P03372 4/20 0.54
ESR2 Q92731 4/20 0.54
MAPT P10636 3/20 0.54
MEN1 O00255 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
GAA P10253 2/20 0.54
JAK2 O60674 1/20 0.54
USP2 O75604 1/20 0.54
ALOX15 P16050 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
PTGES O14684 1/20 0.52
MRGPRX4 Q96LA9 1/20 0.50
HTT P42858 1/20 0.48
PARP1 P09874 1/20 0.48
LMNA P02545 1/20 0.47
METAP2 P50579 1/20 0.47
METAP1 P53582 1/20 0.47

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
SCHEMBL15153930 0.90 ALOX5 (0.64) ALOX5KMT2AHSD17B10ESR1ESR2
Benzoic Acid SCHEMBL23122871 0.90 KMT2A (0.64) ALOX5KMT2AHSD17B10ESR1ESR2
SCHEMBL7535342 0.90 KMT2A (0.59) ALOX5KMT2AHSD17B10ESR1ESR2
SCHEMBL30848573 0.90 KMT2A (0.59) ALOX5KMT2AHSD17B10ESR1ESR2
SCHEMBL29613809 0.87 ALOX5 (0.71) ALOX5KMT2AHSD17B10ESR1ESR2
SCHEMBL5081762 0.87 ALOX5 (0.71) ALOX5KMT2AHSD17B10ESR1ESR2
SCHEMBL30874080 0.85 KMT2A (0.70) ALOX5KMT2AHSD17B10ESR1ESR2
SCHEMBL2477732 0.85 KMT2A (0.70) ALOX5KMT2AHSD17B10ESR1ESR2
SCHEMBL1043660 0.84 ALOX5 (0.63) ALOX5KMT2AHSD17B10ESR1ESR2
SCHEMBL22202246 0.83 ALOX5 (0.63) ALOX5KMT2AHSD17B10ESR1ESR2

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-5498751-A DIALKYLTIN OXIDE BLENDED WITH DIALKYLTIN DICHLORIDE FOR CATALYSIS CPS CHEMICAL COMPANY, INC. (US) 1996-03-12 US claimed