SCHEMBL7872706

SCHEMBL7872706

CCOP(=O)(OCC)c1ccc(P(=O)(OCC)OCC)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.41
TSHR P16473 2/20 0.40
NPSR1 Q6W5P4 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KCNH2 Q12809 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
TP53 P04637 1/20 0.37
ACHE P22303 2/20 0.36
NR1I2 O75469 1/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA12 O43570 1/20 0.35
CA4 P22748 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
KDM4E B2RXH2 2/20 0.33
LMNA P02545 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
SCHEMBL28786616 0.86 POLB (0.36) POLBTSHRNPSR1MEN1KMT2A
SCHEMBL2656076 0.83 ALDH1A1 (0.41) POLBTSHRNPSR1MEN1KMT2A
SCHEMBL2657588 0.82 GSK3B (0.42) POLBTSHRMEN1KMT2ANR1I2
SCHEMBL2669831 0.77 KDM4E (0.31) POLBMEN1KMT2AKDM4E
SCHEMBL5363394 0.75 TSHR (0.52) POLBTSHRNPSR1MEN1KMT2A
SCHEMBL2656358 0.75 SMN1; SMN2 (0.42) POLBTSHRTP53KDM4E
SCHEMBL6829825 0.73 TDP1 (0.49) POLBTSHRNPSR1MEN1KMT2A
SCHEMBL1107375 0.72 KDM4E (0.38) POLBTSHRNPSR1MEN1KMT2A
SCHEMBL1107411 0.71 SMN1; SMN2 (0.43) POLBTSHRTDP1TP53CA1
SCHEMBL18486629 0.70 MEN1 (0.61) POLBTSHRNPSR1MEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6310093-B1 ADMINISTERING, IN AMOUNT EFFECTIVE TO REDUCE DAMAGE TO NEURONAL CELLS, COMPOUND WHICH SELECTIVELY INHIBITS EXTRACELLULAR GLUTAMINASE RELATIVE TO GLUTAMINASE PRESENT IN INTACT CELLS AND IS IMPERMEABLE TO INTACT CELL MEMBRANES ELAN PHARMACEUTICALS, INC. 2001-10-30 US disclosed
WO-1999009825-A1 METHOD OF PREVENTING NEURONAL DEATH ELAN PHARMACEUTICALS, INC. (US) 1999-03-04 WO disclosed