SCHEMBL10414535

SCHEMBL10414535

Cc1ccc(/C=C/c2ncccc2C(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGF23 Q9GZV9 1/20 0.56
ALDH1A1 P00352 5/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
GAA P10253 3/20 0.50
TP53 P04637 1/20 0.48
KDM4E B2RXH2 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAPT P10636 4/20 0.45
CYP3A4 P08684 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
BLM P54132 1/20 0.45
AGER Q15109 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MYC P01106 1/20 0.44
NAPRT Q6XQN6 2/20 0.44
LMNA P02545 2/20 0.44
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43

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
SCHEMBL10414536 1.00 FGF23 (0.56) FGF23ALDH1A1SMN1; SMN2GAATP53
SCHEMBL1905601 0.87 KDM4E (0.52) ALDH1A1SMN1; SMN2KDM4ETDP1MAPT
SCHEMBL1905604 0.87 KDM4E (0.52) ALDH1A1SMN1; SMN2KDM4ETDP1MAPT
SCHEMBL6386356 0.85 NAPRT (0.51) ALDH1A1SMN1; SMN2GAATP53KDM4E
SCHEMBL6386359 0.85 NAPRT (0.51) ALDH1A1SMN1; SMN2GAATP53KDM4E
SCHEMBL6806101 0.84 KDM4E (0.49) FGF23ALDH1A1SMN1; SMN2KDM4ETDP1
SCHEMBL6806097 0.84 KDM4E (0.49) FGF23ALDH1A1SMN1; SMN2KDM4ETDP1
SCHEMBL4061680 0.84 NPC1 (0.54) ALDH1A1SMN1; SMN2GAAKDM4EMAPT
SCHEMBL7502908 0.84 PTGS1 (0.44) ALDH1A1SMN1; SMN2GAAKDM4ETDP1
SCHEMBL4061684 0.84 NPC1 (0.54) ALDH1A1SMN1; SMN2GAAKDM4EMAPT

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
US-4948796-A TREATING CEREBO-VASCULARE DISEASES TOYAMA CHEMICAL CO., LTD. (JP) 1990-08-14 US disclosed