SCHEMBL797382

SCHEMBL797382

CCCc1c(CCC)c(CCC)c2cc3c(CCC)c4cc5c(cc4c(CCC)c3cc2c1CCC)C(C)(CCC)C(C(=O)O)=C(C(=O)O)C5(C)CCC

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LDHA P00338 3/20 0.38
LDHB P07195 3/20 0.38
RXRA P19793 1/20 0.33
PPARG P37231 1/20 0.30
KDM4E B2RXH2 1/20 0.30
PSMD14 O00487 1/20 0.30
RECQL P46063 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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 0.73 LDHA (0.54) LDHALDHBPPARGKDM4EPSMD14
SCHEMBL797087 0.71 LDHA (0.56) LDHALDHBPPARGKDM4EPSMD14
SCHEMBL797234 0.68 ALDH1A1 (0.39) LDHALDHBKDM4E
SCHEMBL1444836 0.64 LDHA (0.51) LDHALDHBPPARGKDM4EPSMD14
SCHEMBL797383 0.63 KMT2A (0.43) LDHALDHBPPARG
SCHEMBL797610 0.63 LDHA (0.50) LDHALDHBPPARGKDM4E
SCHEMBL797401 0.63 LDHA (0.37) LDHALDHBKDM4E
SCHEMBL797416 0.62 LDHA (0.49) LDHALDHBPPARGKDM4E
SCHEMBL796895 0.61 KDM4E (0.55) LDHALDHBPPARGKDM4E
SCHEMBL797250 0.61 ALDH1A1 (0.36) LDHALDHBKDM4E

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