SCHEMBL6682898

SCHEMBL6682898

NC(=O)Cc1ccccc1OCC(=O)O

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.73
POLB P06746 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
PLA2G2A P14555 3/20 0.56
GLA P06280 1/20 0.56
PTGDR2 Q9Y5Y4 6/20 0.53
KDM4E B2RXH2 2/20 0.53
HTT P42858 1/20 0.53
ALDH1A1 P00352 1/20 0.53
HPGD P15428 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
TBXAS1 P24557 2/20 0.51
ALOX15 P16050 1/20 0.50
PLA2G1B P04054 2/20 0.48

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
SCHEMBL503961 0.89 L3MBTL1 (0.77) L3MBTL1POLBSMN1; SMN2GLAPTGDR2
SCHEMBL3947553 0.86 L3MBTL1 (0.63) L3MBTL1POLBSMN1; SMN2GLAPTGDR2
SCHEMBL4837994 0.84 L3MBTL1 (0.65) L3MBTL1POLBSMN1; SMN2GLAPTGDR2
SCHEMBL266662 0.81 L3MBTL1 (0.72) L3MBTL1POLBSMN1; SMN2GLAPTGDR2
SCHEMBL3409855 0.81 L3MBTL1 (0.67) L3MBTL1POLBSMN1; SMN2GLAPTGDR2
SCHEMBL1412911 0.81 HTR1A (0.59) L3MBTL1KDM4EHTTALDH1A1HPGD
SCHEMBL19325893 0.81 L3MBTL1 (0.66) L3MBTL1POLBSMN1; SMN2GLAPTGDR2
SCHEMBL9836686 0.81 L3MBTL1 (0.61) L3MBTL1POLBSMN1; SMN2GLAPTGDR2
SCHEMBL29682135 0.80 L3MBTL1 (0.80) L3MBTL1POLBSMN1; SMN2GLAPTGDR2
SCHEMBL340762 0.80 L3MBTL1 (0.80) L3MBTL1POLBSMN1; SMN2GLAPTGDR2

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-2004056744-A1 ADAMANTYL ACETAMIDES AS HYDROXYSTEROID DEHYDROGENASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2004-07-08 WO claimed