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SCHEMBL5812353

SCHEMBL5812353

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

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ LTB4R Q15722 2/20 0.36
▸ LTB4R2 Q9NPC1 2/20 0.36
▸ PLA2G2A P14555 1/20 0.33
▸ KMT2A Q03164 1/20 0.31
▸ THRA P10827 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ HDAC3 O15379 1/20 0.31
▸ HDAC6 Q9UBN7 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
SCHEMBL5812350 1.00 LTB4R (0.36) LTB4RLTB4R2PLA2G2AKMT2ATHRA
SCHEMBL5808083 0.95 LTB4R (0.34) LTB4RLTB4R2PLA2G2AKMT2ATHRA
SCHEMBL5808071 0.95 LTB4R (0.34) LTB4RLTB4R2PLA2G2AKMT2ATHRA
SCHEMBL5807179 0.91 KMT2A (0.33) LTB4RPLA2G2AKMT2ATHRATHRB
SCHEMBL5812485 0.88 LTB4R (0.34) LTB4RLTB4R2PLA2G2AKMT2ATHRA
SCHEMBL5812476 0.88 LTB4R (0.34) LTB4RLTB4R2PLA2G2AKMT2ATHRA
SCHEMBL5810585 0.81 PLA2G2A (0.41) PLA2G2AKMT2ATHRATHRBHDAC3
SCHEMBL6598919 0.80 S1PR1 (0.36) LTB4RLTB4R2PLA2G2AKMT2ATHRA
SCHEMBL6598918 0.80 S1PR1 (0.36) LTB4RLTB4R2PLA2G2AKMT2ATHRA
SCHEMBL5813873 0.80 PLA2G2A (0.36) 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