SCHEMBL7595041

SCHEMBL7595041

C[C@H](c1ccc(O)cc1)N(C(=O)OC(C)(C)C)[C@H](CCCNC(=O)OCc1ccccc1)C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.47
TPSAB1 Q15661 2/20 0.46
TPSD1 Q9BZJ3 2/20 0.46
TPSG1 Q9NRR2 2/20 0.46
FOLH1 Q04609 4/20 0.45
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
KLK7 P49862 2/20 0.43
KLK5 Q9Y337 2/20 0.43
HTT P42858 1/20 0.43
SLC1A3 P43003 1/20 0.42
SLC1A1 P43005 1/20 0.42
ABCB1 P08183 1/20 0.42
SYK P43405 1/20 0.41
DPP8 Q6V1X1 1/20 0.40
DPP7 Q9UHL4 1/20 0.40

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
SCHEMBL7594753 1.00 MAPT (0.47) MAPTTPSAB1TPSD1TPSG1FOLH1
SCHEMBL7597375 0.95 MAPT (0.49) MAPTTPSAB1TPSD1TPSG1FOLH1
Hydrochloric Acid SCHEMBL7600343 0.95 MAPT (0.48) MAPTTPSAB1TPSD1TPSG1FOLH1
SCHEMBL7597737 0.94 TPSAB1 (0.46) MAPTTPSAB1TPSD1TPSG1FOLH1
SCHEMBL7596696 0.93 TPSAB1 (0.45) MAPTTPSAB1TPSD1TPSG1FOLH1
SCHEMBL7600405 0.93 TPSAB1 (0.45) MAPTTPSAB1TPSD1TPSG1FOLH1
SCHEMBL7597561 0.92 ALOX5 (0.48) MAPTTPSAB1TPSD1TPSG1FOLH1
SCHEMBL7594440 0.92 TPSAB1 (0.45) MAPTTPSAB1TPSD1TPSG1FOLH1
SCHEMBL7594433 0.92 TPSAB1 (0.45) MAPTTPSAB1TPSD1TPSG1FOLH1
SCHEMBL7598318 0.92 TPSAB1 (0.45) MAPTTPSAB1TPSD1TPSG1FOLH1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1222183-A1 BENZOPYRAN DERIVATIVES RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA S.p.a. (IT) 2002-07-17 EP claimed
WO-2001029022-A1 BENZOPYRAN DERIVATIVES RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA SPA (IT) 2001-04-26 WO claimed
EP-1017672-B1 NEW NPY ANTAGONISTS ASTRAZENECA AB (SE) 2002-11-27 EP disclosed