SCHEMBL7123686

SCHEMBL7123686

CC(C)(CCCCOc1cccc(-c2ccc(-c3ccc4c(c3)OCO4)cc2)n1)C(=O)NC([AsH2])C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 9/20 0.60
CTSA P10619 1/20 0.39
MAPT P10636 3/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
NFKB1 P19838 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ADORA1 P30542 3/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
GAA P10253 2/20 0.37
HPGD P15428 2/20 0.37
POLB P06746 1/20 0.36
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL6757775 0.90 LTB4R (0.60) LTB4RCTSAMAPTNPC1LMNA
SCHEMBL7123679 0.90 LTB4R (0.76) LTB4R
SCHEMBL6757555 0.86 LTB4R (0.78) LTB4R
SCHEMBL6759579 0.86 LTB4R (0.56) LTB4RCTSAMAPTALDH1A1
SCHEMBL6757772 0.80 LTB4R (0.76) LTB4R
SCHEMBL6757485 0.80 LTB4R (0.51) LTB4RCTSA
SCHEMBL6757525 0.78 LTB4R (0.53) LTB4RALDH1A1L3MBTL1
SCHEMBL6757471 0.77 LTB4R (0.51) LTB4RCTSAMAPTNPC1LMNA
SCHEMBL6759621 0.77 LTB4R (0.53) LTB4RCTSAMAPTADORA1KDM4E
SCHEMBL6759576 0.76 LTB4R (0.69) 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
WO-2003099810-A2 RADIOPHARMACEUTICALS FOR IMAGING INFECTION AND INFLAMMATION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2003-12-04 WO disclosed