SCHEMBL8744722

SCHEMBL8744722

Cc1cc(C)c(CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)c(C)c1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ P2RY14 Q15391 1/20 0.68
▸ KDM4E B2RXH2 1/20 0.66
▸ POLB P06746 4/20 0.65
▸ TP53 P04637 1/20 0.65
▸ ITGB2 P05107 3/20 0.65
▸ ICAM1 P05362 3/20 0.65
▸ ITGAL P20701 3/20 0.65
▸ MEN1 O00255 2/20 0.63
▸ KMT2A Q03164 2/20 0.63
▸ MAPT P10636 2/20 0.63
▸ SMN1; SMN2 Q16637 1/20 0.63
▸ ALOX15 P16050 1/20 0.62
▸ ACE P12821 4/20 0.61
▸ HTT P42858 1/20 0.60
▸ P4HB P07237 1/20 0.59
▸ TACR1 P25103 1/20 0.57
▸ ALDH1A1 P00352 1/20 0.57
▸ HPGD P15428 1/20 0.57

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
SCHEMBL8744719 1.00 P2RY14 (0.68) P2RY14KDM4EPOLBTP53ITGB2
SCHEMBL9595246 0.89 MAPT (0.67) P2RY14KDM4EPOLBTP53MEN1
SCHEMBL8744739 0.89 MAPT (0.67) P2RY14KDM4EPOLBTP53MEN1
SCHEMBL1458374 0.88 P2RY14 (0.69) P2RY14KDM4EPOLBTP53ITGB2
SCHEMBL14815316 0.88 P2RY14 (0.69) P2RY14KDM4EPOLBTP53ITGB2
SCHEMBL29987387 0.86 ALOX15 (0.70) P2RY14POLBTP53ITGB2ICAM1
SCHEMBL3728145 0.86 ALOX15 (0.70) P2RY14POLBTP53ITGB2ICAM1
SCHEMBL13278205 0.86 ALOX15 (0.70) P2RY14POLBTP53ITGB2ICAM1
SCHEMBL5129578 0.86 ITGB2 (0.83) P2RY14KDM4EPOLBTP53ITGB2
SCHEMBL5129573 0.86 ITGB2 (0.83) P2RY14KDM4EPOLBTP53ITGB2

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-0456063-B1 1-H-3-aryl-pyrrolidin-2,4-dion-derivatives BAYER AG (DE) 1997-01-22 — — EP 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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