SCHEMBL9489689

SCHEMBL9489689

COc1cc(NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](NC(=O)c2ccccc2)C(C)C)cc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
ALDH1A1 P00352 1/20 0.40
KDM4E B2RXH2 2/20 0.38
HPGD P15428 1/20 0.38
FURIN P09958 1/20 0.37
HDAC1 Q13547 2/20 0.37
GRPR P30550 1/20 0.37
MDM4 O15151 1/20 0.36
ITGB3 P05106 1/20 0.36
ITGB1 P05556 1/20 0.36
ITGAV P06756 1/20 0.36
ITGA5 P08648 1/20 0.36
MDM2 Q00987 1/20 0.36
CASP3 P42574 1/20 0.36
F10 P00742 2/20 0.36
AKT1 P31749 1/20 0.35
MAPT P10636 2/20 0.35
IL23R Q5VWK5 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL9489681 1.00 LMNA (0.40) LMNAALDH1A1KDM4EHPGDFURIN
SCHEMBL9489607 0.89 SIRT2 (0.44)
SCHEMBL9489620 0.89 SIRT2 (0.44)
SCHEMBL8341786 0.87 HDAC1 (0.43) LMNAALDH1A1HPGDFURINHDAC1
SCHEMBL28595330 0.83 KDM4E (0.38) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL28595326 0.83 KDM4E (0.38) ALDH1A1KDM4EMAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL28458668 0.83 KDM4E (0.38) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL9614367 0.82 NPY4R (0.42)
SCHEMBL9236162 0.81 C3AR1 (0.43) LMNAALDH1A1FURINITGB3F10
SCHEMBL1517668 0.80 NPC1 (0.41) ALDH1A1FURINF10MEN1KMT2A

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-0255341-B1 REAGENT FOR TESTING PERIODONTAL DISEASES SUNSTAR KABUSHIKI KAISHA (JP) 1993-02-03 EP disclosed
US-5137811-A Method for diagnosing periodontal diseases with a substrate specific for aminopeptidase activity of periodontopathic bacteria SUNSTAR KABUSHIKI KAISHA (JP) 1992-08-11 US disclosed
EP-0255341-A2 Reagent for testing periodontal diseases SUNSTAR KABUSHIKI KAISHA (JP) 1988-02-03 EP disclosed