SCHEMBL29957041

SCHEMBL29957041

Cc1cc(C)c2oc(=O)c(C=O)c(O)c2c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 10/20 0.45
CSNK2B P67870 10/20 0.45
CSNK2A1 P68400 10/20 0.45
ESR1 P03372 3/20 0.43
ESR2 Q92731 3/20 0.43
ERN1 O75460 2/20 0.43
CASP3 P42574 1/20 0.43
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.37

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
SCHEMBL29958053 0.75 NQO1 (0.61) CSNK2A2CSNK2BCSNK2A1CASP3KDM4E
SCHEMBL10436941 0.75 NQO1 (0.61) CSNK2A2CSNK2BCSNK2A1CASP3KDM4E
SCHEMBL29953888 0.75 ESR1 (0.48) CSNK2A2CSNK2BCSNK2A1ESR1ESR2
SCHEMBL29951607 0.74 NQO1 (0.59) ESR1ESR2ERN1CASP3KDM4E
SCHEMBL11853129 0.73 CSNK2A2 (0.50) CSNK2A2CSNK2BCSNK2A1ESR1ESR2
SCHEMBL11360823 0.72 ALPG (0.60) CSNK2A2CSNK2BCSNK2A1ERN1KDM4E
SCHEMBL9259933 0.72 ESR2 (0.60) ESR1ESR2ERN1KDM4EALDH1A1
SCHEMBL29956848 0.72 ALPG (0.60) CSNK2A2CSNK2BCSNK2A1ERN1KDM4E
SCHEMBL5118711 0.71 CSNK2A2 (0.47) CSNK2A2CSNK2BCSNK2A1ESR1ESR2
SCHEMBL21623744 0.70 CSNK2A2 (0.49) CSNK2A2CSNK2BCSNK2A1ESR1ESR2

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed