SCHEMBL3372286

SCHEMBL3372286

CCC1(CC)c2cc(C(P(=O)(O)O)P(=O)(O)O)c(C(P(=O)(O)O)P(=O)(O)O)cc2C(CC)(CC)N1Cc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 5/20 0.38
ELANE P08246 2/20 0.37
SRC P12931 1/20 0.37
LAP3 P28838 4/20 0.36
ANPEP P15144 3/20 0.36
NPSR1 Q6W5P4 1/20 0.35
FDPS P14324 1/20 0.34
ERAP1 Q9NZ08 2/20 0.34
ERAP2 Q6P179 1/20 0.34
TSHR P16473 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL3372280 0.84 ELANE (0.37) ACP3ELANENPSR1FDPS
SCHEMBL1298373 0.78 ELANE (0.35) ACP3ELANELAP3ANPEPNPSR1
SCHEMBL1298596 0.76 ELANE (0.41) ELANENPSR1TSHRALDH1A1MEN1
SCHEMBL1297947 0.76 ELANE (0.46) ELANENPSR1ALDH1A1
SCHEMBL1297880 0.76 ELANE (0.38) ELANENPSR1TSHRALDH1A1MEN1
SCHEMBL1297885 0.74 ELANE (0.35) ELANENPSR1TSHRALDH1A1CYP1A2
SCHEMBL1297404 0.73 ELANE (0.38) ELANENPSR1TSHRALDH1A1
SCHEMBL1298539 0.73 SIGMAR1 (0.41) ELANENPSR1TSHRALDH1A1MEN1
SCHEMBL12104407 0.71 SIGMAR1 (0.40) ELANENPSR1ALDH1A1MEN1KMT2A
SCHEMBL1297405 0.71 ELANE (0.35) ELANENPSR1

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-2010037172-A1 ANTIOXIDANT COMPOUNDS AND METHODS OF THEIR USE QUEENSLAND UNIVERSITY OF TECHNOLOGY (AU) 2010-04-08 WO disclosed