SCHEMBL11606972

SCHEMBL11606972

Cc1ccccc1Oc1ccc(C(=O)OC(C)C)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.55
CD274 Q9NZQ7 1/20 0.55
CA12 O43570 2/20 0.51
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
CA7 P43166 2/20 0.51
CA9 Q16790 2/20 0.51
CA14 Q9ULX7 2/20 0.51
LPAR1 Q92633 5/20 0.49
LPAR5 Q9H1C0 5/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ALDH1A1 P00352 3/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HTT P42858 2/20 0.49
LMNA P02545 1/20 0.49
MAPK14 Q16539 1/20 0.48
MAPT P10636 1/20 0.47

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
SCHEMBL1191950 0.83 TDP1 (0.68) CA1CA2LPAR1LPAR5TDP1
SCHEMBL4506078 0.80 PTGS2 (0.56) CA12CA1CA2CA7CA9
SCHEMBL5608673 0.79 HPGD (0.62) LPAR1LPAR5TDP1L3MBTL1ALDH1A1
SCHEMBL8746017 0.79 LPAR1 (0.70) CA1CA2LPAR1LPAR5ALDH1A1
SCHEMBL11604084 0.78 LPAR1 (0.53) LPAR1LPAR5TDP1L3MBTL1ALDH1A1
SCHEMBL11602631 0.78 PARP10 (0.66) CA1CA2LPAR1LPAR5ALDH1A1
SCHEMBL11603272 0.78 LPAR1 (0.68) CA1CA2LPAR1LPAR5ALDH1A1
SCHEMBL12767609 0.77 PDCD1 (0.57) PDCD1CD274CA12CA1CA2
Potassium Ion SCHEMBL11603948 0.76 LPAR1 (0.52) CA1CA2LPAR1LPAR5TDP1
SCHEMBL11602845 0.76 CA2 (0.53) CA1CA2LPAR1LPAR5TDP1

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-4098816-A HYPOGLYCEMIC AGENTS AND ANTILIPEMIC AGENTS BEECHAM GROUP LIMITED (GB) 1978-07-04 US disclosed