SCHEMBL21096809

SCHEMBL21096809

O=Cc1cccc(Cc2ccc(O)c(C=O)c2)c1

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.54
IDH1 O75874 1/20 0.47
HNF4A P41235 1/20 0.45
ERN1 O75460 8/20 0.43
KDM4E B2RXH2 1/20 0.43
PTGS2 P35354 1/20 0.43
RAB9A P51151 1/20 0.43
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
NT5E P21589 1/20 0.41
TRIM24 O15164 1/20 0.40
TRIM33 Q9UPN9 1/20 0.40
ACMSD Q8TDX5 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40

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
SCHEMBL11457521 0.86 IDH1 (0.63) CDK1IDH1HNF4AERN1CA1
SCHEMBL283097 0.86 CDK1 (0.69) CDK1IDH1HNF4AERN1CA1
SCHEMBL16406548 0.83 ESR1 (0.52) IDH1HNF4ARAB9AMAOAMAOB
SCHEMBL6852425 0.82 ALDH1A1 (0.52) RAB9ACA1CA2TRIM24TRIM33
SCHEMBL6856786 0.81 MAOA (0.47) IDH1KDM4EPTGS2RAB9AMAOA
SCHEMBL417837 0.79 MAOA (0.58) IDH1HNF4ATRIM24TRIM33ACMSD
SCHEMBL6166029 0.77 ERN1 (0.58) CDK1ERN1
SCHEMBL23864799 0.77 ESR1 (0.69) CDK1IDH1HNF4AERN1CA1
SCHEMBL11400148 0.76 MAOA (0.59) RAB9AMAOAMAOB
SCHEMBL20546828 0.76 MAOA (0.59) RAB9AMAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3656824-A1 RADIATION CURABLE INKJET FOR MANUFACTURING PRINTED CIRCUIT BOARDS AGFA-GEVAERT NV (BE) 2020-05-27 EP disclosed
EP-3498788-A1 SOLDER MASK INKJET INKS FOR MANUFACTURING PRINTED CIRCUIT BOARDS Agfa-Gevaert (BE) 2019-06-19 EP disclosed