SCHEMBL5813873

SCHEMBL5813873

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

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 0.36
KMT2A Q03164 1/20 0.33
ICMT O60725 5/20 0.32
AKR1C3 P42330 1/20 0.30
PPARG P37231 1/20 0.30
PPARD Q03181 1/20 0.30
PPARA Q07869 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC6 Q9UBN7 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
SCHEMBL5810585 0.90 PLA2G2A (0.41) PLA2G2AKMT2AICMTAKR1C3PPARG
SCHEMBL6598709 0.84 THRA (0.44) PLA2G2AKMT2AICMTPPARGPPARD
SCHEMBL6599665 0.84 PLA2G2A (0.39) PLA2G2AKMT2AICMTPPARGPPARD
SCHEMBL5807179 0.83 KMT2A (0.33) PLA2G2AKMT2A
SCHEMBL6598794 0.82 PLA2G2A (0.47) PLA2G2AICMTPPARGPPARDPPARA
SCHEMBL6601718 0.82 PLA2G2A (0.38) PLA2G2AKMT2AICMTPPARGPPARD
SCHEMBL5812355 0.82 PLA2G2A (0.39) PLA2G2AKMT2AICMTPPARGPPARD
SCHEMBL6597512 0.81 PLA2G2A (0.37) PLA2G2AICMTPPARGPPARDPPARA
Acetic Acid SCHEMBL6598580 0.81 S1PR1 (0.40) PLA2G2AICMTPPARGPPARDPPARA
SCHEMBL5808083 0.81 LTB4R (0.34) PLA2G2AKMT2AHDAC3HDAC6

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