SCHEMBL14193733

SCHEMBL14193733

O=C(O)COc1ccccc1Cc1cccc(Cc2ccccc2OCC(=O)O)c1OCC(=O)O

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.59
▸ KDM4E B2RXH2 2/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ HPGD P15428 2/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ POLB P06746 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ GLA P06280 1/20 0.53
▸ PTGDR2 Q9Y5Y4 4/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ TBXAS1 P24557 2/20 0.49
▸ CD69 Q07108 2/20 0.49
▸ ALOX15 P16050 1/20 0.47
▸ ELANE P08246 3/20 0.45
▸ F2 P00734 1/20 0.45
▸ CASP1 P29466 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44

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
SCHEMBL4576519 0.83 L3MBTL1 (0.63) L3MBTL1KDM4EALDH1A1HPGDTDP1
SCHEMBL13588054 0.83 PPARD (0.50) L3MBTL1KDM4EALDH1A1POLBSMN1; SMN2
SCHEMBL14193732 0.80 USP2 (0.52) KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL1145948 0.80 KMT2A (0.62) L3MBTL1KDM4EALDH1A1HPGDTDP1
SCHEMBL266662 0.79 L3MBTL1 (0.72) L3MBTL1KDM4EALDH1A1HPGDTDP1
SCHEMBL503961 0.79 L3MBTL1 (0.77) L3MBTL1KDM4EALDH1A1HPGDTDP1
SCHEMBL3409855 0.79 L3MBTL1 (0.67) L3MBTL1KDM4EALDH1A1HPGDTDP1
SCHEMBL4626233 0.78 MAPT (0.68) L3MBTL1TDP1PTGDR2ELANEF2
SCHEMBL7752635 0.78 FABP4 (0.60) L3MBTL1KDM4EALDH1A1HPGDTDP1
SCHEMBL29682135 0.78 L3MBTL1 (0.80) L3MBTL1KDM4EALDH1A1HPGDTDP1

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-7355074-B2 Compounds having aromatic rings and side-chain amide-functionality and a method for transporting monovalent anions across biological membranes using the same THE UNIVERSITY OF MARYLAND (US) 2008-04-08 — — US disclosed
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