SCHEMBL5811087

SCHEMBL5811087

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

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRA P10827 7/20 0.40
THRB P10828 7/20 0.40
KMT2A Q03164 2/20 0.36
PTPN1 P18031 3/20 0.36
PLA2G2A P14555 2/20 0.33
S1PR1 P21453 1/20 0.32
PLA2G4A P47712 1/20 0.32
NPC1 O15118 1/20 0.32
ACSS2 Q9NR19 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 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
SCHEMBL5809194 0.90 THRA (0.41) THRATHRBKMT2APLA2G2A
SCHEMBL6598958 0.85 ALDH1A1 (0.37) KMT2AS1PR1NPC1ALDH1A1HPGD
SCHEMBL8624729 0.83 THRA (0.46) THRATHRBPLA2G2A
SCHEMBL6598709 0.82 THRA (0.44) THRATHRBKMT2APLA2G2A
SCHEMBL5813886 0.82 THRA (0.38) THRATHRBKMT2APTPN1PLA2G2A
SCHEMBL5813890 0.82 PPARG (0.38) THRATHRBPTPN1PLA2G2A
SCHEMBL6603070 0.80 ALDH1A1 (0.37) KMT2APLA2G2ANPC1ALDH1A1HPGD
SCHEMBL6601718 0.80 PLA2G2A (0.38) THRATHRBKMT2APLA2G2AALDH1A1
SCHEMBL5812355 0.79 PLA2G2A (0.39) THRATHRBKMT2APLA2G2AALDH1A1
SCHEMBL6601187 0.79 PLA2G2A (0.49) KMT2APLA2G2AALDH1A1

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