SCHEMBL7329311

SCHEMBL7329311

CNC(=S)NCCCC[C@H](NC(=O)[C@@H](N)Cc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.53
▸ MAPT P10636 5/20 0.53
▸ LMNA P02545 5/20 0.53
▸ MEN1 O00255 4/20 0.53
▸ KMT2A Q03164 4/20 0.53
▸ SMN1; SMN2 Q16637 4/20 0.53
▸ HTT P42858 3/20 0.53
▸ RECQL P46063 1/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ CTSD P07339 1/20 0.51
▸ CTSE P14091 1/20 0.51
▸ PGC P20142 1/20 0.51
▸ REN P00797 3/20 0.47
▸ ALOX12 P18054 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.44
▸ GAA P10253 2/20 0.43
▸ HPGD P15428 1/20 0.40
▸ TACR2 P21452 1/20 0.40

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
SCHEMBL7323392 0.84 MEN1 (0.52) ALDH1A1MEN1KMT2ASMN1; SMN2REN
SCHEMBL9556385 0.81 ALDH1A1 (0.58) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL7319330 0.75 ALDH1A1 (0.53) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL7354500 0.74 LMNA (0.60) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL10375806 0.73 ALDH1A1 (0.44) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL29392186 0.70 GNPAT (0.59) —
SCHEMBL10618982 0.70 ERAP2 (0.53) —
SCHEMBL17903209 0.68 CA2 (0.50) —
SCHEMBL29613396 0.67 NPY4R (0.61) —
SCHEMBL14063686 0.67 SMN1; SMN2 (0.53) SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5198426-A RENIN INHIBITORS CONTAINING C-TERMINAL DIHYDROXY AMIDES WARNER-LAMBERT COMPANY (US) 1993-03-30 — — US disclosed
WO-1990007521-A1 RENIN INHIBITORS CONTAINING C-TERMINAL DIHYDROXY AMIDES WARNER-LAMBERT COMPANY (US) 1990-07-12 — — WO disclosed
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