SCHEMBL8400344

SCHEMBL8400344

CCCCCC=CC(=O)N[C@@H](CCSC)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A5 Q9Y345 2/20 0.46
HDAC2 Q92769 1/20 0.46
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
LMNA P02545 1/20 0.42
FOLH1 Q04609 1/20 0.41
ALDH1A1 P00352 2/20 0.40
USP2 O75604 1/20 0.40
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NOD1 Q9Y239 1/20 0.40
FAAH O00519 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL8400342 1.00 SLC6A5 (0.46) SLC6A5HDAC2TAS1R3TAS1R1LMNA
SCHEMBL18796609 0.99 SLC6A5 (0.48) SLC6A5HDAC2TAS1R3TAS1R1LMNA
SCHEMBL18796610 0.99 SLC6A5 (0.48) SLC6A5HDAC2TAS1R3TAS1R1LMNA
SCHEMBL6562051 0.99 SLC6A5 (0.48) SLC6A5HDAC2TAS1R3TAS1R1LMNA
SCHEMBL31026963 0.89 CNR1 (0.50) SLC6A5HDAC2FAAH
SCHEMBL8399325 0.87 HDAC2 (0.47) HDAC2TAS1R3TAS1R1ALDH1A1USP2
SCHEMBL8399320 0.87 HDAC2 (0.47) HDAC2TAS1R3TAS1R1ALDH1A1USP2
SCHEMBL15846492 0.83 SLC6A5 (0.51) SLC6A5LMNAFOLH1USP2ALOX15
SCHEMBL15846493 0.83 SLC6A5 (0.51) SLC6A5LMNAFOLH1USP2ALOX15
SCHEMBL15297196 0.83 SLC6A5 (0.64) SLC6A5HDAC2NOD1FAAHSMN1; SMN2

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-0666738-B1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 1999-06-09 EP disclosed
EP-0666738-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE. MERCK & CO INC (US) 1996-05-22 EP disclosed
US-5504212-A Inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 1996-04-02 US disclosed
EP-0666738-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO. INC. (US) 1995-08-16 EP disclosed
WO-1994009766-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1994-05-11 WO disclosed
US-4241085-A N-ACYL-METHIONINE DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DE) 1980-12-23 US disclosed
US-4093740-A N-ACYL-METHIONINE DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSIER (DT) 1978-06-06 US disclosed