SCHEMBL6771852

SCHEMBL6771852

CCC(C)C(=O)ONS(=O)(=O)c1cccc(-c2cccc(NC(=NC#N)NCc3ccccc3)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.46
ITGAV P06756 8/20 0.46
CTSS P25774 7/20 0.39
CTSL P07711 6/20 0.39
CTSK P43235 6/20 0.39
CTSB P07858 5/20 0.39
NAMPT P43490 1/20 0.39
MGLL Q99685 1/20 0.37
DHODH Q02127 1/20 0.36
MC4R P32245 1/20 0.36
KCNB1 Q14721 1/20 0.36

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
SCHEMBL6771856 0.80 ALDH1A1 (0.46) ITGB3ITGAVNAMPTDHODH
SCHEMBL5878414 0.79 ITGB3 (0.62) ITGB3ITGAVCTSSCTSLCTSK
SCHEMBL5878410 0.79 ITGB3 (0.62) ITGB3ITGAVCTSSCTSLCTSK
SCHEMBL5878211 0.77 ITGB3 (0.77) ITGB3ITGAV
SCHEMBL5878214 0.77 ITGB3 (0.77) ITGB3ITGAV
SCHEMBL6773278 0.71 ALDH1A1 (0.55)
SCHEMBL6773280 0.71 ALDH1A1 (0.55)
SCHEMBL5878520 0.69 ITGB3 (0.53) ITGB3ITGAV
SCHEMBL10767753 0.67 MAPT (0.47) ITGB3NAMPT
SCHEMBL5878292 0.67 ITGB3 (0.62) ITGB3ITGAVCTSSCTSLCTSK

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-6677360-B2 TREATMENT AND PROPHYLAXIS OF CANCER, ARTERIOSCLEROSIS, RESTENOSIS, OSTEOPOROSIS AND EYE DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 2004-01-13 US disclosed