SCHEMBL8378142

SCHEMBL8378142

COc1ccc(CCNC(=O)[C@@H](N)C(C)C)cc1OC

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.62
CA12 O43570 1/20 0.61
CA1 P00915 1/20 0.61
CA2 P00918 1/20 0.61
CA9 Q16790 1/20 0.61
KMT2A Q03164 3/20 0.60
MAPT P10636 1/20 0.58
ALDH1A1 P00352 4/20 0.58
SMN1; SMN2 Q16637 1/20 0.57
TSHR P16473 1/20 0.57
MEN1 O00255 2/20 0.55
GAA P10253 1/20 0.55

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
SCHEMBL6955675 1.00 LMNA (0.62) LMNACA12CA1CA2CA9
SCHEMBL14264743 0.89 LMNA (0.58) LMNACA12CA1CA2CA9
SCHEMBL3345207 0.86 CA12 (0.68) LMNACA12CA1CA2CA9
SCHEMBL6553300 0.85 GAA (0.54) LMNAKMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL6553291 0.85 GAA (0.54) LMNAKMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL30200389 0.85 LMNA (0.60) LMNACA12CA1CA2CA9
SCHEMBL20542122 0.85 LMNA (0.60) LMNACA12CA1CA2CA9
SCHEMBL20542124 0.85 LMNA (0.60) LMNACA12CA1CA2CA9
SCHEMBL6955671 0.84 LMNA (0.62) LMNACA12CA1CA2CA9
SCHEMBL26293859 0.83 CA12 (0.60) LMNACA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0911318-A2 Amino acid derivatives and their use as pesticides BAYER AG (DE) 1999-04-28 EP disclosed
EP-0758317-B1 N-SULPHONYL AND N-SULPHINYL AMINO ACID AMIDES AS MICROBIOCIDES NOVARTIS AG (CH) 1999-04-07 EP disclosed
US-5814669-A REACTING A PHENETHYLAMINE WITH 4-ISOPROPYL-2,5-OXAZOLIDINEDIONE; APPLYING TO PLANT, SOIL OR SEED BAYER AKTIENGESELLSCHAFT (DE) 1998-09-29 US disclosed
EP-0672654-B1 Fungicidal carbamoyloxime carbonic acid amides BASF AG (DE) 1997-09-10 EP disclosed
EP-0767780-A1 AMINO ACID DERIVATIVES AND THEIR USE AS PESTICIDES BAYER AG (DE) 1997-04-16 EP disclosed
EP-0758317-A1 N-SULPHONYL AND N-SULPHINYL AMINO ACID AMIDES AS MICROBIOCIDES Novartis AG (CH) 1997-02-19 EP disclosed
US-5585519-A FUNGICIDE CIBA-GEIGY CORPORATION (US) 1996-12-17 US disclosed
WO-1996000718-A1 AMINO ACID DERIVATIVES AND THEIR USE AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1996-01-11 WO disclosed
WO-1995030651-A1 N-SULPHONYL AND N-SULPHINYL AMINO ACID AMIDES AS MICROBIOCIDES CIBA-GEIGY AG (CH) 1995-11-16 WO disclosed
EP-0672654-A1 Fungicidal carbamoyloxime carbonic acid amides BASF AKTIENGESELLSCHAFT (DE) 1995-09-20 EP disclosed