SCHEMBL5813862

SCHEMBL5813862

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

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.32
ALDH1A1 P00352 2/20 0.32
PLA2G2A P14555 1/20 0.31
KMT2A Q03164 1/20 0.31
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31

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
SCHEMBL5812355 0.88 PLA2G2A (0.39) LMNAALDH1A1PLA2G2AKMT2ATHRA
SCHEMBL5812476 0.86 LTB4R (0.34) ALDH1A1PLA2G2AKMT2ATHRATHRB
SCHEMBL5811105 0.85 POLB (0.35) PLA2G2ATHRATHRB
SCHEMBL5807179 0.81 KMT2A (0.33) LMNAALDH1A1PLA2G2AKMT2ATHRA
SCHEMBL5810585 0.81 PLA2G2A (0.41) PLA2G2AKMT2ATHRATHRB
SCHEMBL14106844 0.80 XDH (0.35) THRATHRB
SCHEMBL5808083 0.79 LTB4R (0.34) ALDH1A1PLA2G2AKMT2ATHRATHRB
SCHEMBL5808071 0.79 LTB4R (0.34) ALDH1A1PLA2G2AKMT2ATHRATHRB
SCHEMBL5809194 0.78 THRA (0.41) PLA2G2AKMT2ATHRATHRB
SCHEMBL5812353 0.77 LTB4R (0.36) PLA2G2AKMT2ATHRATHRB

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