SCHEMBL20844708

SCHEMBL20844708

Bc1cc2c(Br)cc(C(=O)OC)cc2n1C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ UCHL1 P09936 1/20 0.41
▸ USP30 Q70CQ3 1/20 0.41
▸ NOTUM Q6P988 2/20 0.36
▸ GABRG2 P18507 2/20 0.35
▸ GABRB3 P28472 2/20 0.35
▸ GABRA5 P31644 2/20 0.35
▸ LMNA P02545 2/20 0.34
▸ GABRA1 P14867 1/20 0.34
▸ GABRA2 P47869 1/20 0.34
▸ GABRA6 Q16445 1/20 0.34
▸ PKM P14618 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ CA14 Q9ULX7 1/20 0.33

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
SCHEMBL20844707 0.83 UCHL1 (0.40) UCHL1USP30NOTUMGABRG2GABRB3
SCHEMBL20840660 0.83 UCHL1 (0.40) UCHL1USP30NOTUMGABRG2GABRB3
SCHEMBL21545305 0.83 NOTUM (0.43) UCHL1USP30NOTUMGABRG2GABRB3
SCHEMBL9981273 0.80 KDM4E (0.39) ALDH1A1KDM4EHSD17B10CA12CA1
SCHEMBL20840125 0.79 NR1H2 (0.41) UCHL1USP30GABRG2GABRB3GABRA5
SCHEMBL20839556 0.78 UCHL1 (0.43) UCHL1USP30NOTUMGABRG2GABRB3
SCHEMBL17113072 0.77 UCHL1 (0.41) UCHL1USP30NOTUMGABRG2GABRB3
SCHEMBL17433377 0.75 NR1H2 (0.36) GABRG2GABRB3GABRA5LMNAGABRA1
SCHEMBL22689242 0.72 UCHL1 (0.43) UCHL1USP30NOTUMGABRG2GABRB3
SCHEMBL19476928 0.72 PDGFRB (0.38) GABRG2GABRB3GABRA5ALDH1A1KDM4E

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-2019057946-A1 MULTI-CYCLIC AROMATIC COMPOUNDS AS FACTOR D INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2019-03-28 — — WO disclosed
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