SCHEMBL7048929

SCHEMBL7048929

CC(C)C[C@H](NC(=O)[C@H](C)N1C(=O)CCC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 4/20 0.51
FKBP4 Q02790 1/20 0.51
PSMB9 P28065 4/20 0.47
KMT2A Q03164 1/20 0.44
MMP3 P08254 3/20 0.44
MMP1 P03956 2/20 0.44
REN P00797 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
SCHEMBL5833504 0.96 TACR1 (0.53) TACR1FKBP4
SCHEMBL410223 0.92 FKBP4 (0.54) TACR1FKBP4
SCHEMBL522116 0.88 TACR1 (0.44) TACR1FKBP4PSMB9MMP3MMP1
SCHEMBL7355900 0.86 TACR1 (0.51) TACR1FKBP4
SCHEMBL1087550 0.86 TACR1 (0.43) TACR1FKBP4PSMB9MMP3MMP1
SCHEMBL7746384 0.85 KMT2A (0.58) TACR1FKBP4PSMB9KMT2A
SCHEMBL7076149 0.85 FKBP4 (0.56) TACR1FKBP4
SCHEMBL3667052 0.84 FKBP4 (0.58) TACR1FKBP4KMT2A
SCHEMBL6044127 0.84 TACR1 (0.49) TACR1FKBP4PSMB9KMT2AREN
SCHEMBL3277774 0.82 FKBP4 (0.57) TACR1FKBP4KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0749443-B1 FK-506 CYTOSOLIC BINDING PROTEIN MERCK & CO INC (US) 2003-04-16 EP disclosed
EP-0749443-A4 FK-506 CYTOSOLIC BINDING PROTEIN MERCK & CO INC (US) 1999-11-17 EP disclosed
US-5861498-A GENETIC ENGINEERING AND NUCLEIC ACID MOLECULES AND CODING PROTEINS THOMAS JEFFERSON UNIVERSITY (US) 1999-01-19 US disclosed
EP-0749443-A1 FK-506 CYTOSOLIC BINDING PROTEIN MERCK & CO. INC. (US) 1996-12-27 EP disclosed
WO-1996012018-A2 NOVEL IMMUNOPHILINS AND CORRESPONDING NUCLEIC ACIDS THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1996-04-25 WO disclosed
US-5457182-A An isolated, purified homogeneous polypeptide having a specific binding the immunosuppressant, but not cyclosporine MERCK & CO., INC. (US) 1995-10-10 US disclosed
WO-1995021861-A1 FK-506 CYTOSOLIC BINDING PROTEIN MERCK & CO., INC. (US) 1995-08-17 WO disclosed