SCHEMBL19611141

SCHEMBL19611141

CCCc1c(C)c(C(=O)O)c(C(=O)O)c(O)c1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 4/20 0.50
LDHB P07195 4/20 0.50
PTPN1 P18031 1/20 0.40
PTPN11 Q06124 1/20 0.40
FFAR1 O14842 1/20 0.38
PLA2G2A P14555 1/20 0.37
PLA2G5 P39877 1/20 0.37
FASN P49327 1/20 0.36
JUN P05412 1/20 0.35
P2RX3 P56373 2/20 0.34
PDE10A Q9Y233 1/20 0.33
BID P55957 3/20 0.33
MCL1 Q07820 3/20 0.33
BCL2L1 Q07817 2/20 0.33
BAK1 Q16611 2/20 0.33
KAT8 Q9H7Z6 2/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
EP300 Q09472 1/20 0.33
KAT2A Q92830 1/20 0.33

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
SCHEMBL5850910 0.85 LDHA (0.54) LDHALDHBPTPN1PTPN11FFAR1
SCHEMBL5588178 0.85 LDHA (0.54) LDHALDHBPTPN1PTPN11FFAR1
SCHEMBL28656372 0.81 LDHA (0.50) LDHALDHBPTPN1PTPN11FFAR1
SCHEMBL4122794 0.81 LDHA (0.50) LDHALDHBPTPN1PTPN11FFAR1
SCHEMBL5587507 0.80 LDHA (0.50) LDHALDHBPTPN1PTPN11FFAR1
SCHEMBL9040916 0.80 LDHA (0.53) LDHALDHBPTPN1PTPN11FFAR1
SCHEMBL14031682 0.78 LDHA (0.46) LDHALDHBPTPN1PTPN11JUN
SCHEMBL15841763 0.78 LDHA (0.59) LDHALDHBPTPN1PTPN11FFAR1
SCHEMBL5589890 0.77 LDHA (0.50) LDHALDHBPTPN1PTPN11FFAR1
SCHEMBL5589034 0.76 LDHA (0.57) LDHALDHBPTPN1PTPN11FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1847257-B1 Solid preparation comprising enteric solid dispersion SHINETSU CHEMICAL CO (JP) 2017-11-22 EP claimed