SCHEMBL6977205

SCHEMBL6977205

CC(C)(CN)CCCCOc1cc(-c2ccc3c(c2)OCO3)cc(-c2ccccc2)n1.COC(=O)c1cccc(NC(=O)NCC(C)(C)CCCCOc2cc(-c3ccc4c(c3)OCO4)cc(-c3ccccc3)n2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 14/20 0.58
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
MAPK1 P28482 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
AURKA O14965 1/20 0.39
AURKB Q96GD4 1/20 0.39
PAX8 Q06710 1/20 0.38
KLF5 Q13887 1/20 0.38
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
CASP1 P29466 1/20 0.38

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
SCHEMBL6977207 0.97 LTB4R (0.55) LTB4RNPC1RAB9AKDM4EMEN1
SCHEMBL6759706 0.97 LTB4R (0.62) LTB4RNPC1RAB9AKDM4EMEN1
SCHEMBL6760787 0.92 LTB4R (0.65) LTB4RNPC1RAB9APAX8KLF5
SCHEMBL6759707 0.88 LTB4R (0.49) LTB4RNPC1RAB9AKDM4EMEN1
SCHEMBL6760792 0.83 LTB4R (0.52) LTB4RNPC1RAB9AMAPTMAPK1
SCHEMBL6762408 0.82 LTB4R (0.75) LTB4RADORA3ADORA2AADORA1
SCHEMBL6757593 0.79 LTB4R (0.47) LTB4RHSD17B10ADORA3ADORA2AADORA1
SCHEMBL6759615 0.78 LTB4R (0.67) LTB4RADORA1
SCHEMBL6755910 0.75 LTB4R (0.62) LTB4RADORA1
SCHEMBL6757553 0.75 LTB4R (1.00) LTB4R

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
EP-0999856-B1 RADIOPHARMACEUTICALS FOR IMAGING INFECTION AND INFLAMMATION BRISTOL MYERS SQUIBB PHARMA CO (US) 2003-05-14 EP disclosed