SCHEMBL8337957

SCHEMBL8337957

O=C(N[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)O)c1cc(Cl)ccc1N(Cc1ccc(-c2ccccc2)cc1)Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 5/20 0.54
▸ ITGA4 P13612 5/20 0.54
▸ ITGB7 P26010 4/20 0.54
▸ PTPN1 P18031 2/20 0.54
▸ ERAP1 Q9NZ08 2/20 0.50
▸ GPR34 Q9UPC5 3/20 0.49
▸ NHERF1 O14745 1/20 0.49
▸ PYGL P06737 1/20 0.49
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ MME P08473 4/20 0.47
▸ ACE P12821 4/20 0.47
▸ CPA1 P15085 4/20 0.47
▸ ACE2 Q9BYF1 4/20 0.47

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
SCHEMBL5926666 1.00 ITGB1 (0.54) ITGB1ITGA4ITGB7PTPN1ERAP1
SCHEMBL5926539 0.91 GPR34 (0.66) PTPN1GPR34MMEACECPA1
SCHEMBL5926498 0.87 ITGB1 (0.52) ITGB1ITGA4ITGB7ERAP1GPR34
SCHEMBL5926536 0.86 PTPN1 (0.52) ITGB1ITGA4ITGB7PTPN1ERAP1
SCHEMBL5927188 0.86 ITGB1 (0.52) ITGB1ITGA4ITGB7PTPN1ERAP1
SCHEMBL5926531 0.85 ITGB1 (0.51) ITGB1ITGA4ITGB7PTPN1ERAP1
SCHEMBL5926681 0.83 ERAP1 (0.53) ITGB1ITGA4ITGB7ERAP1GPR34
SCHEMBL5926672 0.82 ITGB1 (0.49) ITGB1ITGA4ITGB7PTPN1ERAP1
SCHEMBL5927464 0.82 ITGB1 (0.49) ITGB1ITGA4ITGB7PTPN1ERAP1
SCHEMBL5926430 0.82 ITGB1 (0.48) ITGB1ITGA4ITGB7PTPN1ERAP1

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
WO-2004014844-A2 ARYL AND HETEROARYL COMPOUNDS AND METHODS TO MODULATE COAGULATION TRANSTECH PHARMA, INC. (US) 2004-02-19 — — WO disclosed
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