SCHEMBL28763753

SCHEMBL28763753

[CH2]C[C@@H](C(=O)OCC)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 1/20 0.51
▸ ALDH1A1 P00352 7/20 0.48
▸ GAA P10253 1/20 0.48
▸ KMT2A Q03164 3/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ POLB P06746 3/20 0.47
▸ TP53 P04637 2/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ GLA P06280 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ ALOX12 P18054 1/20 0.47
▸ NFKB1 P19838 1/20 0.47
▸ APEX1 P27695 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ MAPT P10636 2/20 0.45

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
SCHEMBL11778138 0.88 ALDH1A1 (0.55) HSD11B1ALDH1A1GAAKMT2AKDM4E
SCHEMBL8064549 0.88 ALDH1A1 (0.55) HSD11B1ALDH1A1GAAKMT2AKDM4E
SCHEMBL11539935 0.85 ALDH1A1 (0.53) HSD11B1ALDH1A1GAAKMT2AKDM4E
SCHEMBL9153407 0.82 ALDH1A1 (0.51) HSD11B1ALDH1A1GAAKMT2AKDM4E
SCHEMBL21715106 0.81 HSD11B1 (0.71) HSD11B1ALDH1A1GAAKMT2AMEN1
SCHEMBL3625848 0.81 ALDH1A1 (0.51) HSD11B1ALDH1A1GAAKMT2AKDM4E
SCHEMBL1332360 0.81 ALDH1A1 (0.51) HSD11B1ALDH1A1GAAKMT2AKDM4E
SCHEMBL11590919 0.80 ALDH1A1 (0.50) HSD11B1ALDH1A1GAAKMT2AKDM4E
SCHEMBL1184723 0.80 ALDH1A1 (0.50) HSD11B1ALDH1A1GAAKMT2AKDM4E
SCHEMBL31483318 0.80 ALDH1A1 (0.60) ALDH1A1KMT2AKDM4EMEN1NPSR1

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
CN-85105066-A The production of condensed seven-membered compounds, their and application — 1986-12-31 — — CN disclosed
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