SCHEMBL5129573

SCHEMBL5129573

Cc1cc(C)c(C(=O)NC(Cc2c[nH]c3ccccc23)C(=O)O)c(C)c1

nearest known ligand 0.83

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ITGB2 P05107 10/20 0.83
▸ ICAM1 P05362 10/20 0.83
▸ ITGAL P20701 10/20 0.83
▸ POLB P06746 2/20 0.66
▸ USP2 O75604 1/20 0.66
▸ MAPK1 P28482 1/20 0.66
▸ TP53 P04637 1/20 0.66
▸ KDM4E B2RXH2 1/20 0.64
▸ ALDH1A1 P00352 1/20 0.64
▸ MAPT P10636 1/20 0.64
▸ HPGD P15428 1/20 0.64
▸ ERAP2 Q6P179 1/20 0.64
▸ ALOX15 P16050 1/20 0.64
▸ P2RY14 Q15391 1/20 0.63
▸ ACE P12821 2/20 0.62

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
SCHEMBL5129578 1.00 ITGB2 (0.83) ITGB2ICAM1ITGALPOLBUSP2
SCHEMBL15145373 0.91 ITGB2 (0.76) ITGB2ICAM1ITGALPOLBUSP2
SCHEMBL8744722 0.86 P2RY14 (0.68) ITGB2ICAM1ITGALPOLBTP53
SCHEMBL8744719 0.86 P2RY14 (0.68) ITGB2ICAM1ITGALPOLBTP53
SCHEMBL15780958 0.84 ITGB2 (0.79) ITGB2ICAM1ITGALPOLBTP53
SCHEMBL11875059 0.84 ERAP2 (0.72) ITGB2ICAM1ITGALPOLBKDM4E
SCHEMBL21623652 0.84 ERAP2 (0.72) ITGB2ICAM1ITGALPOLBKDM4E
SCHEMBL15145392 0.84 ITGB2 (0.72) ITGB2ICAM1ITGALPOLBALDH1A1
SCHEMBL11864161 0.84 ERAP2 (0.72) ITGB2ICAM1ITGALPOLBKDM4E
SCHEMBL15145401 0.84 ITGB2 (0.79) ITGB2ICAM1ITGALUSP2MAPK1

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-2008144728-A1 CONJUGATES WHICH BIND A BLOOD PROTEIN SUCH AS HUMAN SERUM ALBUMIN AND METHODS OF USING THE SAME IN DIAGNOSTIC AND THERAPEUTIC APPLICATIONS BRACCO IMAGING S.P.A. (IT) 2008-11-27 — — WO disclosed
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