SCHEMBL8380278

SCHEMBL8380278

CC[C@@H](NS(C)(=O)=O)C(=O)NCc1ccccc1C

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.53
ALDH1A1 P00352 6/20 0.51
HPGD P15428 3/20 0.48
CA2 P00918 1/20 0.46
HTT P42858 1/20 0.45
GAA P10253 1/20 0.45
KMT2A Q03164 1/20 0.45
TP53 P04637 1/20 0.44
PPARG P37231 1/20 0.44
POLB P06746 1/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
EPHX2 P34913 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
SCHEMBL10076144 0.82 POLB (0.52) LMNAALDH1A1CA2HTTGAA
SCHEMBL10374358 0.79 LMNA (0.59) LMNAALDH1A1HPGDHTTGAA
SCHEMBL10374270 0.77 LMNA (0.57) LMNAALDH1A1HPGDHTTGAA
SCHEMBL12757441 0.76 LMNA (0.63) LMNAALDH1A1HPGDCA2HTT
SCHEMBL7140934 0.71 KDM4E (0.54) LMNAALDH1A1HPGDHTTGAA
SCHEMBL2749189 0.71 LMNA (0.69) LMNAALDH1A1HPGDHTTGAA
SCHEMBL14161629 0.70 MMP8 (0.56) LMNAALDH1A1CA2HTTKMT2A
SCHEMBL24576210 0.70 ALDH1A1 (0.68) LMNAALDH1A1HPGDCA2HTT
SCHEMBL2017132 0.70 ALDH1A1 (0.73) LMNAALDH1A1HPGDCA2HTT
SCHEMBL13589750 0.70 LMNA (0.56) LMNAALDH1A1HPGDCA2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0758317-B1 N-SULPHONYL AND N-SULPHINYL AMINO ACID AMIDES AS MICROBIOCIDES NOVARTIS AG (CH) 1999-04-07 EP disclosed
US-5585519-A FUNGICIDE CIBA-GEIGY CORPORATION (US) 1996-12-17 US disclosed
WO-1995030651-A1 N-SULPHONYL AND N-SULPHINYL AMINO ACID AMIDES AS MICROBIOCIDES CIBA-GEIGY AG (CH) 1995-11-16 WO disclosed