SCHEMBL8333460

SCHEMBL8333460

CCC(C)C(N)C(=O)NC(CCSC)C(=O)OC

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.48
CYP2C9 P11712 1/20 0.47
ALDH1A1 P00352 1/20 0.46
USP2 O75604 1/20 0.44
METAP2 P50579 1/20 0.44
METAP1 P53582 1/20 0.44
TSHR P16473 1/20 0.44
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
CASP1 P29466 1/20 0.42
FNTA P49354 3/20 0.42
FNTB P49356 3/20 0.42
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 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
SCHEMBL8333462 1.00 L3MBTL1 (0.48) L3MBTL1CYP2C9ALDH1A1USP2METAP2
SCHEMBL8330810 0.87 FNTA (0.46) L3MBTL1CYP2C9ALDH1A1USP2METAP2
SCHEMBL8330806 0.87 FNTA (0.46) L3MBTL1CYP2C9ALDH1A1USP2METAP2
SCHEMBL8333718 0.86 FNTA (0.45) FNTAFNTB
SCHEMBL13093070 0.86 FNTA (0.45) FNTAFNTB
SCHEMBL2550265 0.86 FNTA (0.45) FNTAFNTB
SCHEMBL2550262 0.86 FNTA (0.45) FNTAFNTB
SCHEMBL8241609 0.85 BIRC2 (0.40) CYP2C9ALDH1A1TAS1R3TAS1R1CYP2C19
SCHEMBL8238371 0.85 BIRC2 (0.40) CYP2C9ALDH1A1TAS1R3TAS1R1CYP2C19
Hydrochloric Acid SCHEMBL8865857 0.85 MME (0.51) L3MBTL1CYP2C9ALDH1A1FNTAFNTB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0730467-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 1999-01-13 EP disclosed
EP-0730467-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO. INC. (US) 1996-09-11 EP disclosed
US-5468733-A FOR TREATING CANCER MERCK & CO., INC. (US) 1995-11-21 US disclosed
WO-1995009000-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1995-04-06 WO disclosed