SCHEMBL7975932

SCHEMBL7975932

CCCCCCCCc1cccc2c(O)c(OCCCC)c(=O)n(C)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.42
PTGS2 P35354 1/20 0.42
ELANE P08246 4/20 0.40
BID P55957 3/20 0.40
MCL1 Q07820 3/20 0.40
BCL2L1 Q07817 2/20 0.40
BAK1 Q16611 2/20 0.40
KAT8 Q9H7Z6 2/20 0.40
SAE1 Q9UBE0 2/20 0.40
CTSG P08311 2/20 0.40
PPARA Q07869 2/20 0.40
PPARG P37231 1/20 0.40
EP300 Q09472 1/20 0.40
KAT2A Q92830 1/20 0.40
KAT2B Q92831 1/20 0.40
KAT5 Q92993 1/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 2/20 0.40
HSD17B10 Q99714 2/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL7964612 0.83 ALDH1A1 (0.44) ALDH1A1KDM4EHSD17B10HPGDHTT
SCHEMBL7974970 0.82 KDM4E (0.43) ALDH1A1KDM4EHSD17B10HPGDHTT
SCHEMBL6579154 0.80 KDM4E (0.42) ALDH1A1KDM4EHSD17B10HPGDHTT
SCHEMBL7978004 0.80 KDM4E (0.44) ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL6576756 0.78 ESR1 (0.42) ALDH1A1KDM4EHSD17B10HPGDHTT
SCHEMBL27387414 0.78 ALDH1A1 (0.63) ALDH1A1KDM4EHSD17B10HPGDHTT
SCHEMBL6576752 0.77 KDM4E (0.47) ALDH1A1KDM4EHSD17B10HPGDHTT
SCHEMBL7974952 0.75 RORA (0.49) KAT8PPARAALDH1A1KDM4EHSD17B10
SCHEMBL6581691 0.75 MEN1 (0.39) ALDH1A1KDM4EHSD17B10HPGDHTT
SCHEMBL7964550 0.74 TP53 (0.44) ALDH1A1KDM4EHSD17B10HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6271416-B1 O-(HYDROCARBONOXYACETAMIDO)BENZOIC ACID DERIVATIVES AS INTERMEDIATES DAINIPPON INK AND CHEMICALS, INC. (JP) 2001-08-07 US disclosed
US-6136822-A ETHER, HYDROXY QUINOLINONE COMPOUNDS DAINIPPON INK AND CHEMICALS, INC. (JP) 2000-10-24 US disclosed