SCHEMBL7357707

SCHEMBL7357707

Cc1ccc(N[C@@H](Cc2c[nH]cn2)C(=O)O)cc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 2/20 0.36
▸ GAA P10253 2/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ MAPT P10636 3/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ MMP8 P22894 1/20 0.35
▸ ITGB1 P05556 2/20 0.34
▸ ITGA4 P13612 2/20 0.34
▸ P2RY14 Q15391 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ NPR3 P17342 1/20 0.34
▸ MMP9 P14780 1/20 0.34
▸ KMT2A Q03164 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33

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
SCHEMBL11208659 0.88 PPARG (0.40) PPARGGAAMAPTITGB1ITGA4
SCHEMBL11208660 0.88 PPARG (0.40) PPARGGAAMAPTITGB1ITGA4
SCHEMBL8772938 0.86 FPR2 (0.44) PPARGITGB1ITGA4SMN1; SMN2KMT2A
SCHEMBL8772935 0.86 FPR2 (0.44) PPARGITGB1ITGA4SMN1; SMN2KMT2A
SCHEMBL9828758 0.82 PIN1 (0.43) CA1SMN1; SMN2KMT2A
SCHEMBL9828763 0.82 PIN1 (0.43) CA1SMN1; SMN2KMT2A
SCHEMBL9221798 0.80 TDP1 (0.57) TDP1L3MBTL1MAPTPOLBMMP9
SCHEMBL29086848 0.80 TRHDE (0.43) PPARGGAAL3MBTL1MAPTPOLB
SCHEMBL6514467 0.80 TDP1 (0.57) TDP1L3MBTL1MAPTPOLBMMP9
SCHEMBL5173100 0.80 TDP1 (0.57) TDP1L3MBTL1MAPTPOLBMMP9

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-0226304-B1 COMPOSITION CONTAINING A PENEM OR CARBAPENEM ANTIBIOTIC SANKYO COMPANY LIMITED (JP) 1991-08-28 — — EP claimed
EP-0396065-A1 Novel amino acid derivatives possessing renin-inhibitory activities Japan Tobacco Inc. (JP) 1990-11-07 — — EP disclosed
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