SCHEMBL8948654

SCHEMBL8948654

CC(C)(C)C1CC(OCC(=O)O)CCN1CC1CN(c2ccc(CNC(=O)OCc3ccccc3)cc2)C(=O)O1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TNKS O95271 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
AURKA O14965 1/20 0.36
FLT1 P17948 1/20 0.36
KDR P35968 1/20 0.36
FLT3 P36888 1/20 0.36
F10 P00742 5/20 0.36
ITGB3 P05106 5/20 0.35
PRSS1 P07477 4/20 0.35
PRSS2 P07478 4/20 0.35
ITGA2B P08514 4/20 0.35
PRSS3 P35030 4/20 0.35
SIGMAR1 Q99720 2/20 0.35
F2 P00734 1/20 0.35
GRM2 Q14416 1/20 0.35
NAAA Q02083 3/20 0.34
ITGAV P06756 1/20 0.34

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
SCHEMBL8948703 0.84 SIGMAR1 (0.36) F10ITGB3PRSS1PRSS2ITGA2B
SCHEMBL8948650 0.81 SIGMAR1 (0.41) KMT2AAURKAFLT1KDRFLT3
SCHEMBL8948799 0.80 GRM2 (0.44) SIGMAR1GRM2
SCHEMBL8315856 0.75 GRM2 (0.48) TNKSTNKS2F10GRM2
SCHEMBL8948884 0.71 GRM2 (0.43) SIGMAR1GRM2
SCHEMBL7400688 0.69 AGTR2 (0.46) SIGMAR1
SCHEMBL7310242 0.69 ITGB3 (0.41) KMT2ANPSR1F10ITGB3ITGA2B
SCHEMBL8948841 0.69 GRM2 (0.47) ITGB3ITGA2BSIGMAR1GRM2
SCHEMBL7462288 0.68 LMNA (0.40) KMT2A
SCHEMBL8948664 0.68 SIGMAR1 (0.45) F10ITGB3ITGA2BSIGMAR1GRM2

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-5532255-A Adhesion receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1996-07-02 US disclosed