SCHEMBL8744780

SCHEMBL8744780

O=C(Cc1c(Cl)cccc1Cl)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ITGB2 P05107 9/20 0.66
▸ ICAM1 P05362 9/20 0.66
▸ ITGAL P20701 9/20 0.66
▸ POLB P06746 3/20 0.61
▸ MEN1 O00255 2/20 0.61
▸ KMT2A Q03164 2/20 0.61
▸ HTT P42858 1/20 0.61
▸ PPARG P37231 1/20 0.61
▸ ALOX15 P16050 1/20 0.60
▸ P2RY14 Q15391 1/20 0.60
▸ TP53 P04637 1/20 0.60
▸ ACE P12821 3/20 0.60
▸ ERAP2 Q6P179 1/20 0.59
▸ MAPT P10636 1/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.58

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
SCHEMBL8744772 1.00 ITGB2 (0.66) ITGB2ICAM1ITGALPOLBMEN1
SCHEMBL9595504 0.87 MAPT (0.71) ITGB2ICAM1ITGALPOLBMEN1
SCHEMBL8744700 0.87 MAPT (0.71) ITGB2ICAM1ITGALPOLBMEN1
SCHEMBL3728145 0.87 ALOX15 (0.70) ITGB2ICAM1ITGALPOLBMEN1
SCHEMBL13278205 0.87 ALOX15 (0.70) ITGB2ICAM1ITGALPOLBMEN1
SCHEMBL29987387 0.87 ALOX15 (0.70) ITGB2ICAM1ITGALPOLBMEN1
SCHEMBL11591677 0.85 ECE1 (0.71) ITGB2ICAM1ITGALPOLBMEN1
SCHEMBL28046779 0.85 ECE1 (0.71) ITGB2ICAM1ITGALPOLBMEN1
SCHEMBL11863617 0.84 ITGB2 (0.67) ITGB2ICAM1ITGALPOLBMEN1
SCHEMBL11873118 0.84 ITGB2 (0.63) ITGB2ICAM1ITGALPOLBHTT

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-0456063-B1 1-H-3-aryl-pyrrolidin-2,4-dion-derivatives BAYER AG (DE) 1997-01-22 — — EP disclosed
US-5258527-A Insecticidal, acaricidal and herbicidal 1-H-3-aryl-pyrrolidine-2,4-dione derivatives BAYER AKTIENGESELLSCHAFT (DE) 1993-11-02 — — US disclosed
EP-0456063-A2 1-H-3-aryl-pyrrolidin-2,4-dion-derivatives BAYER AG (DE) 1991-11-13 — — EP disclosed
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