SCHEMBL5812355

SCHEMBL5812355

CNC(=O)C(C)(C)Oc1ccc2c(c1)c(CC(=O)O)cn2Cc1ccc2oc(-c3nc(C(C)(C)C)cs3)cc2c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 4/20 0.39
PPARD Q03181 4/20 0.37
PPARG P37231 3/20 0.37
PPARA Q07869 3/20 0.37
ICMT O60725 6/20 0.35
THRA P10827 2/20 0.34
THRB P10828 2/20 0.34
CYP26A1 O43174 1/20 0.34
CYP26B1 Q9NR63 1/20 0.34
KMT2A Q03164 1/20 0.33
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL5809194 0.90 THRA (0.41) PLA2G2APPARDPPARGPPARAICMT
SCHEMBL6601187 0.89 PLA2G2A (0.49) PLA2G2APPARDPPARGPPARAICMT
SCHEMBL5812485 0.89 LTB4R (0.34) PLA2G2ATHRATHRBCYP26B1KMT2A
SCHEMBL5812476 0.89 LTB4R (0.34) PLA2G2ATHRATHRBCYP26B1KMT2A
SCHEMBL5813862 0.88 LMNA (0.32) PLA2G2ATHRATHRBKMT2AALDH1A1
SCHEMBL5810585 0.88 PLA2G2A (0.41) PLA2G2APPARDPPARGPPARAICMT
SCHEMBL5811105 0.88 POLB (0.35) PLA2G2AICMTTHRATHRBMTNR1A
SCHEMBL8624729 0.88 THRA (0.46) PLA2G2APPARDPPARGPPARAICMT
SCHEMBL5810419 0.86 PPARD (0.53) PLA2G2APPARDPPARGPPARAICMT
SCHEMBL6599833 0.85 PLA2G2A (0.47) PLA2G2APPARDPPARGPPARAICMT

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