SCHEMBL8773289

SCHEMBL8773289

CC(=O)N[C@@H](CCC(N)=O)C(=O)Oc1ccc(OC(=O)[C@H](CCC(N)=O)NC(C)=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
HSD17B10 Q99714 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
PRSS1 P07477 2/20 0.39
TMPRSS15 P98073 2/20 0.39
KMT2A Q03164 4/20 0.39
GRB2 P62993 1/20 0.39
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
CA2 P00918 2/20 0.37
CA1 P00915 1/20 0.37

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
SCHEMBL8773292 0.94 ALDH1A1 (0.38) ALDH1A1MAPTHSD17B10KDM4EGLA
SCHEMBL21768314 0.93 KMT2A (0.45) ALDH1A1MAPTHPGDPRSS1TMPRSS15
SCHEMBL31216394 0.92 KMT2A (0.44) ALDH1A1HPGDPRSS1TMPRSS15KMT2A
SCHEMBL19177135 0.80 FOLH1 (0.47) ALDH1A1MAPTKDM4EKMT2ACA2
SCHEMBL468918 0.80 FOLH1 (0.47) ALDH1A1MAPTKDM4EKMT2ACA2
SCHEMBL468916 0.80 FOLH1 (0.47) ALDH1A1MAPTKDM4EKMT2ACA2
SCHEMBL468757 0.78 L3MBTL1 (0.54) ALDH1A1HSD17B10KDM4EHPGDKMT2A
SCHEMBL468758 0.78 L3MBTL1 (0.54) ALDH1A1HSD17B10KDM4EHPGDKMT2A
SCHEMBL24978636 0.77 TACR1 (0.56) ALDH1A1HPGDKMT2ACA2CA1
SCHEMBL7046063 0.77 TACR1 (0.56) ALDH1A1HPGDKMT2ACA2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0627410-B1 N-ACYLGLUTAMINE DERIVATIVE KYOWA HAKKO KOGYO KK (JP) 1997-10-29 EP claimed
US-5468474-A N-acylglutamine derivatives and cosmetic compositions KYOWA HAKKO KOGYO CO., LTD. (JP) 1995-11-21 US claimed
EP-0627410-A1 N-ACYLGLUTAMINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 1994-12-07 EP claimed
EP-0627410-B1 N-ACYLGLUTAMINE DERIVATIVE KYOWA HAKKO KOGYO KK (JP) 1997-10-29 EP disclosed
US-5468474-A N-acylglutamine derivatives and cosmetic compositions KYOWA HAKKO KOGYO CO., LTD. (JP) 1995-11-21 US disclosed
EP-0627410-A1 N-ACYLGLUTAMINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 1994-12-07 EP disclosed