SCHEMBL1122929

SCHEMBL1122929

O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)O)c1ccc(OCCN(Cc2ccccc2)Cc2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.59
ERAP2 Q6P179 1/20 0.58
CA12 O43570 1/20 0.57
CA1 P00915 1/20 0.57
CA9 Q16790 1/20 0.57
ITGB2 P05107 4/20 0.56
ICAM1 P05362 4/20 0.56
ITGAL P20701 4/20 0.56
P2RY14 Q15391 1/20 0.55
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
POLB P06746 1/20 0.54
HTT P42858 1/20 0.54
LNPEP Q9UIQ6 1/20 0.54
ECE1 P42892 1/20 0.52
KCNA5 P22460 1/20 0.52
TACR1 P25103 1/20 0.52
MRGPRX4 Q96LA9 1/20 0.52
PTPN1 P18031 1/20 0.52

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
SCHEMBL1123375 0.90 PPARG (0.65) PPARGERAP2CA12CA1CA9
SCHEMBL1123056 0.90 PPARG (0.54) PPARGERAP2CA12CA1CA9
SCHEMBL27659071 0.86 ERAP2 (0.59) PPARGERAP2CA12CA1CA9
SCHEMBL1122844 0.83 MEN1 (0.63) PPARGERAP2KMT2AMEN1LNPEP
SCHEMBL1122892 0.83 PPARG (0.56) PPARGERAP2KMT2AMEN1LNPEP
SCHEMBL1122913 0.82 PTPN1 (0.56) PPARGCA12CA1CA9KMT2A
SCHEMBL1122981 0.82 ITGB2 (0.52) PPARGERAP2ITGB2ICAM1ITGAL
SCHEMBL1123050 0.81 PTPN1 (0.69) CA12CA1CA9PTPN1
SCHEMBL11873953 0.81 KMT2A (0.73) ERAP2CA12CA1CA9ITGB2
SCHEMBL1122735 0.81 ADAM17 (0.51) PPARGKMT2APTPN1

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
EP-1644321-B1 NEW BENZAMIDES AS PPATY MODULATORS S A L V A T LAB SA (ES) 2011-02-09 EP disclosed