SCHEMBL7517684

SCHEMBL7517684

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

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.71
PPARG P37231 2/20 0.55
PPARA Q07869 1/20 0.55
SLC6A4 P31645 1/20 0.50
KMT2A Q03164 1/20 0.50
CA2 P00918 1/20 0.48
FFAR1 O14842 1/20 0.47
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.47
PTGS1 P23219 1/20 0.47
AKR1C3 P42330 1/20 0.47
AKR1C2 P52895 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL7517694 1.00 LDHA (0.71) LDHAPPARGPPARASLC6A4KMT2A
SCHEMBL15312744 1.00 LDHA (0.71) LDHAPPARGPPARASLC6A4KMT2A
SCHEMBL28495195 0.86 LDHA (0.61) LDHAPPARGPPARASLC6A4POLB
SCHEMBL5672844 0.84 LDHA (0.59) LDHAPPARGPPARASLC6A4KDM4E
SCHEMBL490716 0.83 LDHA (1.00) LDHAPPARGPPARASLC6A4FFAR1
SCHEMBL10436394 0.81 LDHA (0.76) LDHAPPARGPPARASLC6A4KMT2A
SCHEMBL27387704 0.81 LDHA (0.65) LDHAPPARGPPARASLC6A4KMT2A
SCHEMBL3894505 0.80 TAAR1 (0.57) PPARAKMT2ACYP1A2HTT
SCHEMBL2817931 0.80 LDHA (0.73) LDHAPPARGPPARASLC6A4FFAR1
SCHEMBL4456451 0.80 LDHA (0.73) LDHAPPARGPPARASLC6A4FFAR1

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-0634408-B1 DEPSIPEPTIDE DERIVATIVE, PRODUCTION THEREOF AND USE THEREOF FUJISAWA PHARMACEUTICAL CO (JP) 2002-01-02 EP disclosed
US-5646244-A PARASITICIDES, ANTHELMINTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-07-08 US disclosed
US-5514773-A PARASITICIDES, ANTHELMINTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-05-07 US disclosed
EP-0634408-A1 DEPSIPEPTIDE DERIVATIVE, PRODUCTION THEREOF AND USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-01-18 EP disclosed