SCHEMBL8550434

SCHEMBL8550434

COC(=O)[C@H]1CC[C@H](NC(=O)c2cnc(CCC3CCNCC3)s2)CC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.38
ITGA2B P08514 7/20 0.38
FLT3 P36888 1/20 0.37
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 1/20 0.36
HPGDS O60760 1/20 0.36
CFTR P13569 1/20 0.35
PDGFRB P09619 1/20 0.34
PDGFRA P16234 1/20 0.34
SMYD3 Q9H7B4 1/20 0.33
SSTR1 P30872 1/20 0.33
SSTR4 P31391 1/20 0.33
HTR4 Q13639 1/20 0.33
ENPP2 Q13822 1/20 0.33
SNCA P37840 1/20 0.33
CHEK1 O14757 1/20 0.33
CHEK2 O96017 1/20 0.33

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
SCHEMBL8550439 1.00 ITGB3 (0.38) ITGB3ITGA2BFLT3MAPK11MAPK14
Hydrochloric Acid SCHEMBL8621613 0.88 ITGB3 (0.41) ITGB3ITGA2BFLT3MAPK11MAPK14
Hydrochloric Acid SCHEMBL8621616 0.88 ITGB3 (0.41) ITGB3ITGA2BFLT3MAPK11MAPK14
Hydrochloric Acid SCHEMBL8553242 0.83 MAPK11 (0.36) MAPK11MAPK14HPGDSCFTRPDGFRB
SCHEMBL8554046 0.81 LMNA (0.42) ITGB3ITGA2BHPGDS
SCHEMBL8554049 0.81 LMNA (0.42) ITGB3ITGA2BHPGDS
Hydrochloric Acid SCHEMBL8549999 0.80 LMNA (0.41) ITGB3ITGA2BHPGDS
Hydrochloric Acid SCHEMBL8555002 0.74 ITGB3 (0.41) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL8553733 0.72 SMYD3 (0.48) ITGB3ITGA2BFLT3CFTRSMYD3
Bromide SCHEMBL8549638 0.72 SMYD3 (0.35) ITGB3ITGA2BFLT3HPGDSSMYD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0858457-A1 5-MEMBERED HETEROCYCLES, PHARMACEUTICAL AGENTS CONTAINING SAID COMPOUNDS AND THE USE THEREOF AND METHODS OF PRODUCING THEM Dr. Karl Thomae GmbH (DE) 1998-08-19 EP disclosed
WO-1997015567-A1 5-MEMBERED HETEROCYCLES, PHARMACEUTICAL AGENTS CONTAINING SAID COMPOUNDS AND THE USE THEREOF AND METHODS OF PRODUCING THEM DR. KARL THOMAE GMBH (DE) 1997-05-01 WO disclosed