SCHEMBL7835586

SCHEMBL7835586

N=C(N)Nc1cccc(C(=O)NCC(=O)NC2=COc3cc(CCC(=O)O)ccc3O2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.45
ITGA2B P08514 3/20 0.45
ITGB1 P05556 2/20 0.39
ITGAV P06756 2/20 0.39
ITGB5 P18084 1/20 0.39
PPARG P37231 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SENP1 Q9P0U3 3/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
F10 P00742 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MDM4 O15151 1/20 0.34
ITGA5 P08648 1/20 0.34
MDM2 Q00987 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
SCHEMBL7349069 0.97 ITGB3 (0.45) ITGB3ITGA2BITGB1ITGAVITGB5
SCHEMBL7349108 0.85 ITGB3 (0.38) ITGB3ITGA2BITGB1ITGAVITGB5
SCHEMBL7346500 0.83 ITGB3 (0.60) ITGB3ITGA2BITGB1ITGAVITGB5
SCHEMBL6777064 0.82 ITGB3 (0.46) ITGB3ITGA2BITGB1ITGAVITGB5
SCHEMBL7338324 0.82 ITGB3 (0.46) ITGB3ITGA2BITGB1ITGAVITGB5
SCHEMBL7343422 0.79 ITGB3 (0.43) ITGB3ITGA2BITGB1ITGAVITGB5
SCHEMBL7348386 0.79 ITGB3 (0.48) ITGB3ITGA2BITGB1ITGAVITGB5
SCHEMBL7450519 0.76 PPARG (0.65) ITGB3ITGA2BITGB1ITGAVITGB5
SCHEMBL7379804 0.76 ITGB3 (0.55) ITGB3ITGA2BITGB1ITGAVITGB5
SCHEMBL8500653 0.75 ITGB3 (0.60) ITGB3ITGA2BITGB1ITGAVITGB5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0850221-B1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS SEARLE & CO (US) 2001-07-18 EP claimed
EP-0850221-B1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS SEARLE & CO (US) 2001-07-18 EP disclosed
US-6028223-A AN INTEGRIN ANTAGONISTS TREATING BONE DISORDER, PERIODONTAL DISEASE, OSTEOPOROSIS, HUMORAL HYPERCALCEMIA OF MALIGNANCY, PAGET'S DISEASE, TUMOR ANGIOGENESIS, DIABETIC RETINOPATHY, ARTHRITIS, SMOOTH MUSCLE CELL MIGRATION AND RESTENOSIS G. D. SEARLE & CO. (US) 2000-02-22 US disclosed