SCHEMBL5808083

SCHEMBL5808083

COC(=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 19)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 2/20 0.34
LTB4R2 Q9NPC1 2/20 0.34
PLA2G2A P14555 2/20 0.34
KMT2A Q03164 3/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
CYP26B1 Q9NR63 1/20 0.31
PKM P14618 1/20 0.31
MAOB P27338 1/20 0.30
MTNR1A P48039 1/20 0.30
MTNR1B P49286 1/20 0.30
P2RX3 P56373 1/20 0.30
S1PR1 P21453 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
SCHEMBL5808071 1.00 LTB4R (0.34) LTB4RLTB4R2PLA2G2AKMT2AKDM4E
SCHEMBL5812350 0.95 LTB4R (0.36) LTB4RLTB4R2PLA2G2AKMT2ATHRA
SCHEMBL5812353 0.95 LTB4R (0.36) LTB4RLTB4R2PLA2G2AKMT2ATHRA
SCHEMBL5812485 0.93 LTB4R (0.34) LTB4RLTB4R2PLA2G2AKMT2AKDM4E
SCHEMBL5812476 0.93 LTB4R (0.34) LTB4RLTB4R2PLA2G2AKMT2AKDM4E
SCHEMBL5807179 0.92 KMT2A (0.33) LTB4RPLA2G2AKMT2AALDH1A1THRA
SCHEMBL6598919 0.84 S1PR1 (0.36) LTB4RLTB4R2PLA2G2AKMT2AKDM4E
SCHEMBL6598918 0.84 S1PR1 (0.36) LTB4RLTB4R2PLA2G2AKMT2AKDM4E
SCHEMBL5810585 0.83 PLA2G2A (0.41) PLA2G2AKMT2ATHRATHRBHDAC3
SCHEMBL5813873 0.81 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