SCHEMBL7774653

SCHEMBL7774653

CCCCCCc1ccccc1OC1CCCCO1.CCCCCCc1ccccc1OC1CCCCO1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
PPARA Q07869 2/20 0.40
LIPG Q9Y5X9 1/20 0.39
PPARG P37231 1/20 0.39
ALOX5 P09917 1/20 0.39
PTGS2 P35354 1/20 0.39
HPGD P15428 1/20 0.37
PTPN1 P18031 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
LTB4R Q15722 1/20 0.35
LTB4R2 Q9NPC1 1/20 0.35
BCHE P06276 1/20 0.35

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
SCHEMBL7233664 1.00 THRA (0.42) THRATHRBPPARALIPGPPARG
SCHEMBL8625167 0.95 HPGD (0.39) THRATHRBPPARAALOX5PTGS2
SCHEMBL6268506 0.89 HPGD (0.40) HPGDPTPN1KDM4C
SCHEMBL7774765 0.87 LIPG (0.46) THRATHRBPPARALIPGPPARG
SCHEMBL8596519 0.84 THRA (0.48) THRATHRBPPARALIPGPPARG
SCHEMBL7721178 0.84 THRA (0.48) THRATHRBPPARALIPGPPARG
Alcohol SCHEMBL8073596 0.81 THRA (0.49) THRATHRBPPARALIPGPPARG
SCHEMBL8158814 0.81 HPGD (0.40) THRATHRBHPGDPTPN1KDM4C
Methyl Alcohol SCHEMBL11123436 0.81 THRA (0.49) THRATHRBPPARALIPGPPARG
SCHEMBL2648241 0.78 KDM4C (0.38) HPGDPTPN1KDM4C

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
EP-1119573-A2 BIPYRIDINE MANGANESE COMPLEXES EUKARION, INC. (US) 2001-08-01 EP disclosed
WO-2000009512-A2 BIPYRIDINE MANGANESE COMPLEXES EUKARION, INC. (US) 2000-02-24 WO disclosed