SCHEMBL797384

SCHEMBL797384

CCCc1c(CCC)c(CCC)c2c(C)c3c(CCC)c4c(C)c5c(CCC)c(C(=O)O)c(C(=O)O)c(CCC)c5cc4c(CCC)c3cc2c1CCC

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LDHA P00338 4/20 0.44
LDHB P07195 4/20 0.44
PTPN1 P18031 3/20 0.36
PTPN11 Q06124 2/20 0.36
KDM4E B2RXH2 1/20 0.33
PSMD14 O00487 1/20 0.33
RECQL P46063 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PDE10A Q9Y233 1/20 0.33
JUN P05412 1/20 0.32
PTPN2 P17706 1/20 0.32
ALDH1A2 O94788 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ALDH2 P05091 1/20 0.32
ALDH1B1 P30837 1/20 0.32
ALDH1A3 P47895 1/20 0.32
PPARG P37231 1/20 0.31
HSD17B3 P37058 1/20 0.31

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
SCHEMBL797608 0.84 LDHA (0.54) LDHALDHBPTPN1PTPN11KDM4E
SCHEMBL797087 0.82 LDHA (0.56) LDHALDHBPTPN1PTPN11KDM4E
SCHEMBL797416 0.76 LDHA (0.49) LDHALDHBPTPN1PTPN11KDM4E
SCHEMBL797286 0.74 LDHA (0.36) LDHALDHBPTPN1PTPN11KDM4E
SCHEMBL797610 0.73 LDHA (0.50) LDHALDHBPTPN1PTPN11KDM4E
SCHEMBL1444836 0.71 LDHA (0.51) LDHALDHBPTPN1PTPN11KDM4E
SCHEMBL797104 0.71 LDHA (0.47) LDHALDHBPTPN1PTPN11KDM4E
SCHEMBL14989214 0.69 LDHA (0.46) LDHALDHBPTPN1PTPN11KDM4E
SCHEMBL22418967 0.69 LDHA (0.48) LDHALDHBPTPN1PTPN11KDM4E
SCHEMBL797755 0.69 KDM4E (0.50) LDHALDHBKDM4EPDE10AJUN

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-1262469-B1 POLYACENE DERIVATIVES AND PRODUCTION THEREOF JAPAN SCIENCE & TECH AGENCY (JP) 2012-01-11 EP claimed