SCHEMBL9163987

SCHEMBL9163987

COc1ccc2c(=O)c(C)c(C=Cc3ccc(C(=O)O)cc3)oc2c1CC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 2/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
POLB P06746 2/20 0.38
CASP6 P55212 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CTDSP1 Q9GZU7 2/20 0.38
XDH P47989 1/20 0.35
DUSP3 P51452 1/20 0.35
PTPN5 P54829 1/20 0.35
PTPN11 Q06124 1/20 0.35

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
SCHEMBL9163981 1.00 LTB4R (0.42) LTB4RMEN1KMT2APOLBCASP6
SCHEMBL9162496 0.91 MEN1 (0.47) MEN1KMT2APOLBL3MBTL1CTDSP1
SCHEMBL9162488 0.91 MEN1 (0.47) MEN1KMT2APOLBL3MBTL1CTDSP1
SCHEMBL9164164 0.89 NFE2L2 (0.44) MEN1KMT2APOLB
SCHEMBL9164174 0.89 NFE2L2 (0.44) MEN1KMT2APOLB
SCHEMBL9166291 0.86 MEN1 (0.50) MEN1KMT2A
SCHEMBL9166285 0.86 MEN1 (0.50) MEN1KMT2A
SCHEMBL9157208 0.80 MEN1 (0.49) MEN1KMT2AL3MBTL1CTDSP1DUSP3
SCHEMBL9165474 0.77 MAPT (0.38) LTB4RMEN1KMT2APOLBL3MBTL1
SCHEMBL9161739 0.70 STING1 (0.58) MEN1KMT2ACTDSP1DUSP3PTPN5

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-5409952-A Anticancer agents ADIR ET COMPAGNIE (FR) 1995-04-25 US disclosed