SCHEMBL8953501

SCHEMBL8953501

CCC/C=C/CCC(=O)N[C@@H](CCSC)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 1/20 0.51
FNTA P49354 5/20 0.48
FNTB P49356 5/20 0.48
SLC6A5 Q9Y345 2/20 0.48
PGGT1B P53609 1/20 0.47
NOD1 Q9Y239 1/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPK1 P28482 2/20 0.44
USP2 O75604 1/20 0.44
TP53 P04637 1/20 0.44
ALOX15 P16050 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.42

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
SCHEMBL8953498 1.00 HDAC2 (0.51) HDAC2FNTAFNTBSLC6A5PGGT1B
SCHEMBL18619952 0.87 FNTA (0.52) HDAC2FNTAFNTBSLC6A5PGGT1B
SCHEMBL15297196 0.85 SLC6A5 (0.64) HDAC2FNTAFNTBSLC6A5PGGT1B
SCHEMBL302152 0.85 FNTA (0.58) HDAC2FNTAFNTBPGGT1BNOD1
SCHEMBL302151 0.85 FNTA (0.58) HDAC2FNTAFNTBPGGT1BNOD1
SCHEMBL5069979 0.84 SLC6A5 (0.70) HDAC2FNTAFNTBSLC6A5PGGT1B
SCHEMBL11418516 0.84 SLC6A5 (0.70) HDAC2FNTAFNTBSLC6A5PGGT1B
SCHEMBL20398927 0.84 SLC6A5 (0.70) HDAC2FNTAFNTBSLC6A5PGGT1B
SCHEMBL22424713 0.84 SLC6A5 (0.70) HDAC2FNTAFNTBSLC6A5PGGT1B
SCHEMBL5662648 0.84 SLC6A5 (0.70) HDAC2FNTAFNTBSLC6A5PGGT1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0666738-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE. MERCK & CO INC (US) 1996-05-22 EP disclosed
EP-0666738-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO. INC. (US) 1995-08-16 EP disclosed