SCHEMBL5812485

SCHEMBL5812485

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

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 2/20 0.34
LTB4R2 Q9NPC1 2/20 0.34
KMT2A Q03164 3/20 0.32
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
PLA2G2A P14555 1/20 0.32
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
CYP26B1 Q9NR63 1/20 0.31
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
SCHEMBL5812476 1.00 LTB4R (0.34) LTB4RLTB4R2KMT2AKDM4EMEN1
SCHEMBL5808083 0.93 LTB4R (0.34) LTB4RLTB4R2KMT2AKDM4EMEN1
SCHEMBL5808071 0.93 LTB4R (0.34) LTB4RLTB4R2KMT2AKDM4EMEN1
SCHEMBL5812355 0.89 PLA2G2A (0.39) KMT2AALDH1A1PLA2G2ATHRATHRB
SCHEMBL5812350 0.88 LTB4R (0.36) LTB4RLTB4R2KMT2APLA2G2ATHRA
SCHEMBL5812353 0.88 LTB4R (0.36) LTB4RLTB4R2KMT2APLA2G2ATHRA
SCHEMBL5813862 0.86 LMNA (0.32) KMT2AALDH1A1PLA2G2ATHRATHRB
SCHEMBL5807179 0.85 KMT2A (0.33) LTB4RKMT2AALDH1A1PLA2G2ATHRA
SCHEMBL5811105 0.84 POLB (0.35) PLA2G2ATHRATHRBHDAC3HDAC6
SCHEMBL6598919 0.83 S1PR1 (0.36) LTB4RLTB4R2KMT2AKDM4EMEN1

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