SCHEMBL6806629

SCHEMBL6806629

CC(C)(C)COC(=O)NC(CC(=O)OC(C)(C)C)n1cnc2c(N3CCC(C(=O)NC4=NCCCN4)CC3)ncnc21

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.35
MAPT P10636 1/20 0.33
KMT2A Q03164 3/20 0.32
MEN1 O00255 1/20 0.32
THRB P10828 2/20 0.31
SIRT2 Q8IXJ6 1/20 0.31
SIRT1 Q96EB6 1/20 0.31
SIRT3 Q9NTG7 1/20 0.31
RXFP1 Q9HBX9 2/20 0.31
ITGB3 P05106 1/20 0.31
ITGAV P06756 1/20 0.31
ITGA2B P08514 1/20 0.31
LIMK2 P53671 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL6805470 0.93 TDP1 (0.36) TDP1MAPTKMT2AMEN1THRB
SCHEMBL6810562 0.90 ITGB3 (0.41) MAPTKMT2AMEN1ITGB3ITGAV
SCHEMBL6805793 0.89 ITGB3 (0.41) TDP1MAPTKMT2AITGB3ITGAV
SCHEMBL4641013 0.86 ITGB3 (0.34) MAPTKMT2AMEN1THRBSIRT2
SCHEMBL6805865 0.85 TDP1 (0.41) TDP1MAPTKMT2AMEN1THRB
SCHEMBL4640085 0.83 ITGAV (0.38) MAPTITGB3ITGAVITGA2B
SCHEMBL4640260 0.82 ITGB3 (0.43) MAPTKMT2AMEN1ITGB3ITGAV
SCHEMBL6876023 0.80 SIRT2 (0.36) MAPTKMT2AMEN1THRBSIRT2
SCHEMBL6803682 0.80 ITGB3 (0.45) MAPTKMT2AMEN1THRBRXFP1
SCHEMBL6805973 0.77 TDP1 (0.43) TDP1MAPTKMT2AMEN1THRB

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