SCHEMBL11309294

SCHEMBL11309294

Cc1c(Cl)cc(Cl)c2oc(C(=O)O)c(CC(=O)O)c(=O)c12

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.35
DUSP3 P51452 1/20 0.35
PTPN5 P54829 1/20 0.35
PTPN11 Q06124 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
SAE1 Q9UBE0 1/20 0.35
UBA2 Q9UBT2 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
NPC1 O15118 1/20 0.34
AKR1B1 P15121 1/20 0.34
MCL1 Q07820 4/20 0.33
TP53 P04637 1/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
SLC26A3 P40879 2/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32

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
SCHEMBL11321162 0.76 CSNK2A2 (0.50) POLBAKR1B1MCL1
SCHEMBL11325784 0.74 MCL1 (0.39) MCL1CA12CA9
SCHEMBL11315028 0.73 KMT2A (0.43) MEN1KMT2ANPC1MCL1TP53
SCHEMBL11320518 0.70 TTR (0.52) MEN1KMT2AAKR1B1MCL1PTGDR2
SCHEMBL4989165 0.69 MCL1 (0.39) MCL1
SCHEMBL11329000 0.68 MAPT (0.50) POLBMEN1KMT2ANPC1MCL1
SCHEMBL3618120 0.67 ALDH1A1 (0.50) MEN1KMT2ANPC1MCL1
SCHEMBL11324534 0.65 MCL1 (0.57) MEN1KMT2ANPC1MCL1
SCHEMBL11313409 0.65 MCL1 (0.57) MEN1KMT2AMCL1CA12CA9
SCHEMBL11311546 0.65 MAPT (0.49) POLBMEN1KMT2ANPC1AKR1B1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4307020-A REACTING AN 0-HYDROXYACETOPHENONE WITH A GLYOXYLIC ACID BAYER AKTIENGESELLSCHAFT (DE) 1981-12-22 US disclosed
US-4285965-A FUNGICIDES AND INSECTICIDES FOR PLANTS BAYER AKTIENGESELLSCHAFT (DE) 1981-08-25 US disclosed
EP-0000377-B1 PROCESS FOR THE PREPARATION OF CHROMONE DERIVATIVES, NEW CHROMONE DERIVATIVES AND THEIR USE AS PLANT-PROTECTING AGENTS BAYER AG (DE) 1981-01-21 EP disclosed
US-4189498-A FUNGICIDES, ARTHROPODICIDES BAYER AKTIENGESELLSCHAFT (DE) 1980-02-19 US disclosed