SCHEMBL7378464

SCHEMBL7378464

CNC[C@](N)(C(=O)C[C@H]1C[C@@H](c2ccc(C(=N)NC(=O)OC(C)(C)C)cc2)NO1)C(=O)OC(=O)OCc1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MASP2 O00187 2/20 0.34
▸ SYK P43405 1/20 0.33
▸ CTSL P07711 1/20 0.32
▸ ITGB3 P05106 2/20 0.31
▸ ITGA2B P08514 2/20 0.31
▸ KLK7 P49862 1/20 0.31
▸ KLK5 Q9Y337 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ KDM1A O60341 1/20 0.30
▸ RCOR1 Q9UKL0 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
SCHEMBL8129068 0.80 KDM1A (0.31) KDM1A
SCHEMBL7369874 0.77 KDM1A (0.34) MASP2KDM1A
SCHEMBL7793872 0.77 KDM1A (0.34) MASP2KDM1A
SCHEMBL8124835 0.76 MASP2 (0.31) MASP2
SCHEMBL8121928 0.74 F2 (0.30) —
SCHEMBL7835225 0.69 ITGB3 (0.32) ITGB3ITGA2B
SCHEMBL7376861 0.68 ITGB3 (0.45) MASP2ITGB3ITGA2BKDM1ARCOR1
SCHEMBL8269064 0.64 SYK (0.52) MASP2SYK
SCHEMBL22138858 0.63 MAOB (0.55) SMN1; SMN2
SCHEMBL27544002 0.63 SYK (0.44) SYKSMN1; SMN2

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-0730590-B1 ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS DU PONT PHARM CO (US) 2001-01-17 — — EP disclosed
WO-1995014683-A1 NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-06-01 — — WO disclosed
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