SCHEMBL7369161

SCHEMBL7369161

CCC[C@H](NC(=O)[C@H](C)NC(=O)Cc1cccc([N+](=O)[O-])c1)C(=O)OC.CCOC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)Cc1cccc([N+](=O)[O-])c1)[C@@H](C)O)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
REN P00797 1/20 0.37
ADAMTS4 O75173 1/20 0.36
MMP13 P45452 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SSTR3 P32745 1/20 0.36
PSMB1 P20618 1/20 0.36
PSMB5 P28074 1/20 0.36
PSMB2 P49721 1/20 0.36
CTSB P07858 1/20 0.36
CTSK P43235 1/20 0.36
CTSD P07339 1/20 0.35

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
SCHEMBL5966948 0.93 CYP2C9 (0.49) LMNACYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL5967082 0.88 SMN1; SMN2 (0.47) CYP2D6CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL5967171 0.88 CYP2C9 (0.50) LMNACYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL7366464 0.86 PSEN1 (0.43) LMNACYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL7440531 0.84 REN (0.45) HTTSMN1; SMN2L3MBTL1RENALDH1A1
SCHEMBL5967334 0.83 SMN1; SMN2 (0.49) LMNACYP2D6CYP2C9CYP2C19HTT
SCHEMBL6446002 0.83 SMN1; SMN2 (0.49) LMNACYP2D6CYP2C9CYP2C19HTT
SCHEMBL5966981 0.81 SMN1; SMN2 (0.49) CYP2D6CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL5967105 0.81 SMN1; SMN2 (0.51) LMNACYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL5967078 0.80 HTT (0.47) LMNACYP3A4CYP2D6CYP2C9CYP2C19

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-0942924-A2 METHODS AND COMPOUNDS FOR INHIBITING $g(b)-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS Elan Pharmaceuticals, Inc. (US) 1999-09-22 EP disclosed
WO-1998022494-A9 METHODS AND COMPOUNDS FOR INHIBITING β-AMYLOID PEPTIDE RELEASE AND/OR SYNTHESIS 1998-08-20 WO disclosed
WO-1998022494-A2 METHODS AND COMPOUNDS FOR INHIBITING β-AMYLOID PEPTIDE RELEASE AND/OR SYNTHESIS ELAN PHARMACEUTICALS, INC. (US) 1998-05-28 WO disclosed