SCHEMBL6805959

SCHEMBL6805959

CC(C)(C)COC(=O)N[C@@H](Cn1cnc2c(N3CCC(C(=O)O)CC3)ncnc21)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.40
ITGAV P06756 11/20 0.40
TDP1 Q9NUW8 1/20 0.38
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 2/20 0.35
ITGA2B P08514 1/20 0.35
ITGB5 P18084 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 2/20 0.35
HRH4 Q9H3N8 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
SCHEMBL4640097 0.92 TDP1 (0.36) ITGB3ITGAVTDP1KMT2APOLB
SCHEMBL6811091 0.85 ITGB3 (0.53) ITGB3ITGAVITGA2BITGB5
SCHEMBL4640085 0.84 ITGAV (0.38) ITGB3ITGAVMAPTITGA2BITGB5
SCHEMBL6805973 0.82 TDP1 (0.43) TDP1KMT2APOLBMAPTKDM4E
SCHEMBL27524220 0.81 ITGB3 (0.46) ITGB3ITGAVITGA2BITGB5HRH4
SCHEMBL4640164 0.81 ITGB3 (0.46) ITGB3ITGAVITGA2BITGB5HRH4
SCHEMBL6810270 0.79 NPEPPS (0.34) ITGB3ITGAVTDP1KMT2APOLB
SCHEMBL27474218 0.79 KMT2A (0.39) TDP1KMT2APOLBMAPTKDM4E
SCHEMBL4640715 0.79 KMT2A (0.39) TDP1KMT2APOLBMAPTKDM4E
SCHEMBL4641013 0.77 ITGB3 (0.34) ITGB3ITGAVKMT2AMAPTITGA2B

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-6723727-B1 VITRONECTIN RECEPTOR ANTAGONISTS; INHIBITORS OF BONE RESORPTION; OSTEOPOROSIS HOECHST AKTIENGESELLSCHAFT (DE) 2004-04-20 US disclosed