SCHEMBL14200098

SCHEMBL14200098

Cc1oc(C(=O)O)cc1CO

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 3/20 0.68
PTGER4 P35408 12/20 0.56
POLB P06746 3/20 0.53
HSD17B10 Q99714 3/20 0.53
TDP1 Q9NUW8 3/20 0.53
L3MBTL1 Q9Y468 3/20 0.53
MAPT P10636 2/20 0.53
ALDH1A1 P00352 2/20 0.53
MEN1 O00255 1/20 0.53
ALOX15 P16050 1/20 0.53
LIG1 P18858 1/20 0.53
KMT2A Q03164 1/20 0.53
NPC1 O15118 1/20 0.50

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
SCHEMBL14201260 0.85 APEX1 (0.64) APEX1PTGER4POLBHSD17B10TDP1
SCHEMBL2844554 0.82 APEX1 (0.66) APEX1PTGER4POLBHSD17B10TDP1
SCHEMBL13402277 0.81 APEX1 (1.00) APEX1PTGER4POLBHSD17B10TDP1
SCHEMBL3534389 0.79 TSHR (0.56) APEX1PTGER4POLBHSD17B10TDP1
SCHEMBL13402276 0.78 APEX1 (0.87) APEX1PTGER4POLBHSD17B10TDP1
SCHEMBL6756778 0.76 APEX1 (0.45) APEX1PTGER4POLBHSD17B10TDP1
SCHEMBL27735423 0.75 APEX1 (0.41) APEX1PTGER4POLBHSD17B10TDP1
SCHEMBL700764 0.74 APEX1 (0.55) APEX1PTGER4POLBHSD17B10TDP1
SCHEMBL3534435 0.74 PTGER4 (1.00) PTGER4POLBHSD17B10TDP1MAPT
SCHEMBL14200101 0.73 PTGER4 (0.54) APEX1PTGER4POLBHSD17B10TDP1

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
EP-1603893-B1 EP4 RECEPTOR ANTAGONISTS ASTERAND UK LTD (GB) 2008-05-21 EP disclosed