SCHEMBL8936960

SCHEMBL8936960

CNC(C(=O)OC(C)(C)C)c1cccc(C(=O)NC(CCSC)C(=O)OC)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.53
TAS1R3 Q7RTX0 2/20 0.53
TAS1R1 Q7RTX1 2/20 0.53
FNTA P49354 7/20 0.51
FNTB P49356 7/20 0.51
KMT2A Q03164 1/20 0.45
GAA P10253 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
HPGD P15428 1/20 0.41
USP2 O75604 1/20 0.41

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
SCHEMBL8936963 1.00 L3MBTL1 (0.53) L3MBTL1TAS1R3TAS1R1FNTAFNTB
SCHEMBL8616092 0.77 ROCK2 (0.49) KMT2A
SCHEMBL8936965 0.77 FNTA (0.56) L3MBTL1TAS1R3TAS1R1FNTAFNTB
SCHEMBL7232898 0.77 TAS1R3 (0.63) L3MBTL1TAS1R3TAS1R1FNTAFNTB
SCHEMBL8896137 0.77 TAS1R3 (0.63) L3MBTL1TAS1R3TAS1R1FNTAFNTB
SCHEMBL2323686 0.76 L3MBTL1 (0.74) L3MBTL1TAS1R3TAS1R1FNTAFNTB
SCHEMBL18095164 0.76 L3MBTL1 (0.74) L3MBTL1TAS1R3TAS1R1FNTAFNTB
SCHEMBL8369449 0.75 FNTA (0.68) L3MBTL1TAS1R3TAS1R1FNTAFNTB
SCHEMBL8369448 0.75 FNTA (0.68) L3MBTL1TAS1R3TAS1R1FNTAFNTB
SCHEMBL8517002 0.75 FNTA (0.66) L3MBTL1TAS1R3TAS1R1FNTAFNTB

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
US-5578629-A ANTICARCINOGENIC AGENTS MERCK & CO., INC. (US) 1996-11-26 US disclosed
WO-1996030015-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1996-10-03 WO disclosed
US-5534537-A Prodrugs of inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 1996-07-09 US disclosed