SCHEMBL7586619

SCHEMBL7586619

COC(=O)CCc1ccc(CC(NC(=O)c2ccc(OC)cc2)C(=O)OC)cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.58
▸ RAB9A P51151 1/20 0.58
▸ CA2 P00918 1/20 0.55
▸ TAS1R3 Q7RTX0 2/20 0.52
▸ TAS1R1 Q7RTX1 2/20 0.52
▸ LNPEP Q9UIQ6 1/20 0.51
▸ LMNA P02545 3/20 0.49
▸ L3MBTL1 Q9Y468 3/20 0.49
▸ MAPT P10636 2/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ F2RL1 P55085 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.47
▸ PTPN1 P18031 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ GLA P06280 1/20 0.46
▸ CTSS P25774 1/20 0.45

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
SCHEMBL7586611 1.00 GAA (0.58) GAARAB9ACA2TAS1R3TAS1R1
SCHEMBL7586015 0.88 GAA (0.60) GAARAB9ATAS1R3TAS1R1LNPEP
SCHEMBL7586025 0.88 GAA (0.60) GAARAB9ATAS1R3TAS1R1LNPEP
SCHEMBL16384220 0.84 GAA (0.58) GAARAB9ACA2TAS1R3TAS1R1
SCHEMBL25496384 0.84 RAB9A (0.79) GAARAB9ACA2LMNAALDH1A1
SCHEMBL28482777 0.84 RAB9A (0.79) GAARAB9ACA2LMNAALDH1A1
SCHEMBL7592917 0.83 CA2 (0.69) GAARAB9ACA2ALDH1A1F2RL1
SCHEMBL7592913 0.83 CA2 (0.69) GAARAB9ACA2ALDH1A1F2RL1
SCHEMBL1085793 0.83 GAA (0.55) GAARAB9ACA2TAS1R3TAS1R1
SCHEMBL7588018 0.80 TAAR1 (0.46) GAARAB9ALNPEPL3MBTL1

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-1209147-A1 CARBOXYLIC ACID DERIVATIVES AND ADHESION MOLECULE INHIBITORS CONTAINING THE SAME AS THE ACTIVE INGREDIENT TORAY INDUSTRIES, INC. (JP) 2002-05-29 — — EP disclosed
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