SCHEMBL5809194

SCHEMBL5809194

CNC(=O)COc1ccc2c(c1)c(CC(=O)O)cn2Cc1ccc2oc(-c3nc(C(C)(C)C)cs3)cc2c1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRA P10827 5/20 0.41
THRB P10828 5/20 0.41
PPARD Q03181 4/20 0.40
PPARG P37231 3/20 0.40
PPARA Q07869 3/20 0.40
PLA2G2A P14555 5/20 0.40
KMT2A Q03164 1/20 0.37
ICMT O60725 4/20 0.36
LTB4R Q15722 1/20 0.35
LTB4R2 Q9NPC1 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
SCHEMBL8624729 0.94 THRA (0.46) THRATHRBPPARDPPARGPPARA
SCHEMBL6598709 0.90 THRA (0.44) THRATHRBPPARDPPARGPPARA
SCHEMBL6601187 0.90 PLA2G2A (0.49) PPARDPPARGPPARAPLA2G2AKMT2A
SCHEMBL5812355 0.90 PLA2G2A (0.39) THRATHRBPPARDPPARGPPARA
SCHEMBL5811087 0.90 THRA (0.40) THRATHRBPLA2G2AKMT2A
SCHEMBL5810419 0.89 PPARD (0.53) THRATHRBPPARDPPARGPPARA
SCHEMBL6599833 0.89 PLA2G2A (0.47) THRATHRBPPARDPPARGPPARA
SCHEMBL6610414 0.88 PPARD (0.39) THRATHRBPPARDPPARGPPARA
Acetic Acid SCHEMBL6610409 0.88 S1PR1 (0.42) THRATHRBPPARDPPARGPPARA
SCHEMBL7479941 0.86 PPARD (0.43) THRATHRBPPARDPPARGPPARA

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
WO-2006046683-A1 THIAZOLYLBENZOFURAN DERIVATIVES AS LEUKOTRIENE AND PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS ASTELLAS PHARMA INC. (JP) 2006-05-04 WO disclosed