SCHEMBL11357751

SCHEMBL11357751

COc1ccc(C[C@H](CS)C(=O)O)cc1

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.67
CPA3 P15088 1/20 0.64
FOLH1 Q04609 1/20 0.64
ACE P12821 1/20 0.56
PPARG P37231 1/20 0.56
KMT2A Q03164 1/20 0.54

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
SCHEMBL10436394 0.90 LDHA (0.76) LDHAPPARGKMT2A
SCHEMBL12494157 0.86 LDHA (0.71) LDHACPA3PPARGKMT2A
SCHEMBL12493566 0.86 LDHA (0.71) LDHACPA3PPARGKMT2A
SCHEMBL4453569 0.85 PPARG (0.72) LDHAPPARGKMT2A
SCHEMBL12191490 0.85 PPARG (0.72) LDHAPPARGKMT2A
SCHEMBL6177184 0.85 CYP1A2 (0.69) LDHACPA3FOLH1PPARGKMT2A
SCHEMBL11270370 0.84 LDHA (0.54) LDHAACEPPARG
SCHEMBL6178867 0.83 LDHA (0.67) LDHACPA3FOLH1PPARGKMT2A
SCHEMBL21194011 0.83 LDHA (0.67) LDHAPPARGKMT2A
SCHEMBL31344391 0.83 LDHA (0.67) LDHAPPARGKMT2A

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
US-4285858-A ANTIHEMOPHILIC FACTOR; HEMOSTATIC AGENTS; ANTICOAGULANTS AND COAGULANTS MT. SINAI SCHOOL OF MEDICINE OF THE CITY UNIVERSITY OF N.Y. (US) 1981-08-25 US disclosed
EP-0029659-A2 Vasopressin analogs, processes for their production and a method of treating mammals Cort, Joseph H. (US) 1981-06-03 EP disclosed
US-4210636-A Antisecretory polypeptides AMERICAN HOME PRODUCTS CORPORATION (US) 1980-07-01 US disclosed
US-4180500-A Polypeptides related to somatostatin AMERICAN HOME PRODUCTS CORPORATION (US) 1979-12-25 US disclosed