SCHEMBL8003558

SCHEMBL8003558

C=C(C(=O)O)P(=O)(c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.46
CA4 P22748 1/20 0.46
CA5A P35218 1/20 0.46
KMT2A Q03164 3/20 0.44
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
USP2 O75604 1/20 0.43
CFTR P13569 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
GAA P10253 1/20 0.39
ESR1 P03372 1/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
NPSR1 Q6W5P4 2/20 0.37
MAPT P10636 1/20 0.37
HSD17B10 Q99714 1/20 0.37
POLB P06746 1/20 0.37
LMNA P02545 1/20 0.36
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL29421945 0.88 CA2 (0.52) CA2CA4CA5AKMT2AALOX15
SCHEMBL28830577 0.83 MAPT (0.43) CA2CA4CA5AKMT2AALOX15
SCHEMBL5713384 0.78 TSHR (0.54) CA2CA4CA5AKMT2AALOX15
SCHEMBL7515904 0.77 ELANE (0.42) CA2CA4CA5AALOX15TSHR
SCHEMBL27895861 0.75 CA2 (0.55) CA2CA4CA5AKMT2AALOX15
SCHEMBL22228993 0.75 CA2 (0.62) CA2CA4CA5AKMT2AALOX15
SCHEMBL19200387 0.74 KMT2A (0.52) CA2CA4CA5AKMT2AALOX15
SCHEMBL30266166 0.73 CA2 (0.46) CA2CA4CA5AKMT2AALOX15
SCHEMBL23352340 0.71 CA2 (0.50) CA2CA4CA5AKMT2AALOX15
SCHEMBL8847094 0.71 KMT2A (0.53) CA2CA4CA5AKMT2AALOX15

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-2000020465-A1 NOVEL CHAIN TRANSFER AGENTS THE UNIVERSITY OF AKRON (US) 2000-04-13 WO disclosed