SCHEMBL31469733

SCHEMBL31469733

Cn1c(=O)c(C(=O)OC(C)(C)C)c(O)c2cc(Cl)ccc21

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.54
GABRG2 P18507 1/20 0.54
GABRB3 P28472 1/20 0.54
GABRA5 P31644 1/20 0.54
ALDH1A1 P00352 4/20 0.53
GSK3B P49841 4/20 0.51
KDM4E B2RXH2 2/20 0.49
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
CYP2C19 P33261 1/20 0.47
HIF1A Q16665 4/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL2384086 0.85 ALDH1A1 (0.49) GABRA1GABRG2GABRB3GABRA5ALDH1A1
SCHEMBL5530559 0.82 ALDH1A1 (0.76) ALDH1A1GSK3BKDM4EMEN1KMT2A
SCHEMBL11372872 0.81 GSK3B (0.57) ALDH1A1GSK3BMEN1KMT2ACYP2C19
SCHEMBL31469740 0.79 GABRA1 (0.46) GABRA1GABRG2GABRB3GABRA5ALDH1A1
SCHEMBL31469758 0.79 GABRA1 (0.46) GABRA1GABRG2GABRB3GABRA5ALDH1A1
SCHEMBL9392477 0.75 ALDH1A1 (0.69) ALDH1A1GSK3BKDM4ECYP2C19HIF1A
SCHEMBL15154618 0.75 GSK3B (0.59) ALDH1A1GSK3BKDM4EMEN1KMT2A
SCHEMBL10674186 0.73 EGFR (0.69) ALDH1A1GSK3BKDM4EMEN1KMT2A
SCHEMBL12254382 0.73 GSK3B (0.60) GSK3BKDM4EMEN1KMT2AHIF1A
SCHEMBL2384071 0.73 HIF1A (0.69) GSK3BMEN1KMT2AHIF1A

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
WO-2025030002-A2 DGK TARGETING COMPOUNDS AND USES THEREOF ARVINAS OPERATIONS, INC. (US) 2025-02-06 WO disclosed