SCHEMBL11032032

SCHEMBL11032032

CCOC(=O)C(CCC(=O)O)Nc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.47
P2RY12 Q9H244 3/20 0.44
MMP8 P22894 1/20 0.43
PIN1 Q13526 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
TDP1 Q9NUW8 3/20 0.42
LMNA P02545 2/20 0.42
HSD17B10 Q99714 2/20 0.42
TSHR P16473 1/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 2/20 0.41
POLB P06746 1/20 0.41
NAALAD2 Q9Y3Q0 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL28418972 0.88 POLB (0.50) GAAMMP8PIN1CA12CA1
SCHEMBL5930579 0.87 CA12 (0.44) P2RY12CA12CA1CA2CA9
SCHEMBL8706578 0.85 GAA (0.46) GAAMMP8PIN1CA12CA1
SCHEMBL27481741 0.83 GAA (0.50) GAAMMP8PIN1CA12CA1
SCHEMBL28469697 0.82 ACE (0.47) GAA
Hydrochloric Acid SCHEMBL10538267 0.81 GAA (0.49) GAAMMP8PIN1CA12CA1
Hydrochloric Acid SCHEMBL10538264 0.81 GAA (0.49) GAAMMP8PIN1CA12CA1
SCHEMBL28187611 0.81 GAA (0.49) GAAMMP8PIN1CA12CA1
SCHEMBL60371 0.80 GAA (0.62) GAAMMP8KMT2ANAALAD2
SCHEMBL60370 0.80 GAA (0.62) GAAMMP8KMT2ANAALAD2

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-0045171-B1 9-AMINO-1-HYDROXYOCTAHYDROBENZO(C)QUINOLINES AND DERIVATIVES THEREOF PFIZER INC. (US) 1985-02-13 EP disclosed