SCHEMBL10431445

SCHEMBL10431445

CC(C)(C)OC(=O)c1cccc(C[NH])c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.62
LOXL2 Q9Y4K0 1/20 0.47
CYP4F2 P78329 3/20 0.46
CYP4A11 Q02928 3/20 0.46
MRGPRX4 Q96LA9 3/20 0.41
STAT3 P40763 1/20 0.40
HIF1A Q16665 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
FOLH1 Q04609 2/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ABCB1 P08183 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38

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
SCHEMBL12301533 0.87 SLC7A5 (0.65) SLC7A5LOXL2CYP4F2CYP4A11MRGPRX4
SCHEMBL3499880 0.85 SLC7A5 (0.63) SLC7A5LOXL2CYP4F2CYP4A11MRGPRX4
SCHEMBL7384982 0.85 SLC7A5 (0.63) SLC7A5LOXL2CYP4F2CYP4A11MRGPRX4
SCHEMBL14415228 0.84 SLC7A5 (0.59) SLC7A5LOXL2CYP4F2CYP4A11MRGPRX4
SCHEMBL4928282 0.84 LOXL2 (0.69) SLC7A5LOXL2CYP4F2CYP4A11MRGPRX4
SCHEMBL30694681 0.84 SLC7A5 (0.62) SLC7A5LOXL2CYP4F2CYP4A11MRGPRX4
SCHEMBL127411 0.84 SLC7A5 (0.62) SLC7A5LOXL2CYP4F2CYP4A11MRGPRX4
SCHEMBL1246082 0.84 SLC7A5 (0.62) SLC7A5LOXL2CYP4F2CYP4A11MRGPRX4
SCHEMBL22019046 0.84 SLC7A5 (0.62) SLC7A5LOXL2CYP4F2CYP4A11MRGPRX4
SCHEMBL29471996 0.84 SLC7A5 (0.62) SLC7A5LOXL2CYP4F2CYP4A11MRGPRX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0400290-A1 5-Amino-4-hydroxyvalerianic acid derivatives useful as intermediates in the preparation of renin inhibitors CIBA-GEIGY AG (CH) 1990-12-05 EP disclosed
US-4863903-A RENIN ENZYME INHIBITORS, HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1989-09-05 US disclosed
US-4719288-A HYPOTENSIVE CIBA-GEIGY CORPORATION (US) 1988-01-12 US disclosed
US-4613676-A PEPTIDES CIBA-GEIGY CORPORATION (US) 1986-09-23 US disclosed
EP-0144290-A2 Substituted ethylenediamine derivatives CIBA-GEIGY AG (CH) 1985-06-12 EP disclosed
EP-0143746-A2 5-Amino 4-hydroxy-valeryl-substituted derivatives CIBA-GEIGY AG (CH) 1985-06-05 EP disclosed