SCHEMBL8937027

SCHEMBL8937027

CCC(Nc1cccc(C(=O)NC(CCSC)C(=O)OC)c1)c1c[nH]cn1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.48
FNTA P49354 10/20 0.47
FNTB P49356 10/20 0.47
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 1/20 0.47
KMT2A Q03164 1/20 0.46
APOBEC3G Q9HC16 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
GAA P10253 1/20 0.40
PGGT1B P53609 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
Hydrochloric Acid SCHEMBL8936982 0.99 L3MBTL1 (0.47) L3MBTL1FNTAFNTBTAS1R3TAS1R1
SCHEMBL9005968 0.91 FNTA (0.49) FNTAFNTBPGGT1B
Hydrochloric Acid SCHEMBL8995674 0.90 FNTA (0.49) FNTAFNTBPGGT1B
SCHEMBL9005958 0.81 FNTA (0.50) L3MBTL1FNTAFNTBTAS1R3TAS1R1
SCHEMBL8369462 0.81 FNTA (0.50) L3MBTL1FNTAFNTBTAS1R3TAS1R1
SCHEMBL8937028 0.79 TAS1R3 (0.46) L3MBTL1FNTAFNTBTAS1R3TAS1R1
Hydrochloric Acid SCHEMBL8936984 0.78 TAS1R3 (0.46) L3MBTL1FNTAFNTBTAS1R3TAS1R1
SCHEMBL8936950 0.76 FNTA (0.45) L3MBTL1FNTAFNTBTAS1R3TAS1R1
SCHEMBL8367915 0.76 TAS1R3 (0.47) L3MBTL1FNTAFNTBTAS1R3TAS1R1
SCHEMBL9005953 0.76 TAS1R3 (0.47) L3MBTL1FNTAFNTBTAS1R3TAS1R1

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