SCHEMBL3372280

SCHEMBL3372280

CCC1(CC)c2cc(CP(=O)(O)O)c(CP(=O)(O)O)cc2C(CC)(CC)N1Cc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.37
NPSR1 Q6W5P4 1/20 0.35
PGK1 P00558 3/20 0.35
PGK2 P07205 3/20 0.35
ACP3 P15309 2/20 0.35
NOTUM Q6P988 1/20 0.35
BRD4 O60885 4/20 0.34
FDPS P14324 1/20 0.34
MAPK1 P28482 1/20 0.34
BRD2 P25440 2/20 0.34
BRD3 Q15059 2/20 0.34
BRDT Q58F21 2/20 0.34
KDM4E B2RXH2 1/20 0.34
TP53 P04637 1/20 0.34
CYP2D6 P10635 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL3372286 0.84 ACP3 (0.38) ELANENPSR1ACP3FDPS
SCHEMBL1297880 0.81 ELANE (0.38) ELANENPSR1NOTUMMAPK1KDM4E
SCHEMBL1297404 0.79 ELANE (0.38) ELANENPSR1TP53
SCHEMBL1298373 0.78 ELANE (0.35) ELANENPSR1ACP3NOTUMFDPS
SCHEMBL1298596 0.76 ELANE (0.41) ELANENPSR1NOTUMTP53
SCHEMBL1297947 0.76 ELANE (0.46) ELANENPSR1TP53
SCHEMBL12104392 0.75 ELANE (0.36) ELANENPSR1MAPK1KDM4ETP53
SCHEMBL1298539 0.73 SIGMAR1 (0.41) ELANENPSR1MAPK1KDM4ETP53
SCHEMBL12104407 0.71 SIGMAR1 (0.40) ELANENPSR1BRD4TP53
SCHEMBL1297885 0.71 ELANE (0.35) ELANENPSR1KDM4ECYP2D6HTT

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