SCHEMBL5283197

SCHEMBL5283197

NC(=O)CC(NC(=O)Cc1ccccc1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.61
▸ RAB9A P51151 1/20 0.61
▸ KMT2A Q03164 3/20 0.59
▸ MEN1 O00255 2/20 0.59
▸ CNR2 P34972 5/20 0.54
▸ ITGB2 P05107 1/20 0.52
▸ ICAM1 P05362 1/20 0.52
▸ ITGAL P20701 1/20 0.52
▸ ITGB3 P05106 1/20 0.51
▸ ITGA2B P08514 1/20 0.51
▸ TMPRSS15 P98073 1/20 0.50
▸ CTSL P07711 1/20 0.49
▸ CTSB P07858 1/20 0.49
▸ CTSS P25774 1/20 0.49
▸ PSMB8 P28062 1/20 0.49
▸ PSMB5 P28074 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ HDAC8 Q9BY41 1/20 0.49
▸ HDAC6 Q9UBN7 1/20 0.49

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
SCHEMBL5277278 1.00 ALDH1A1 (0.61) ALDH1A1RAB9AKMT2AMEN1CNR2
SCHEMBL16908009 0.90 CNR2 (0.54) ALDH1A1RAB9AKMT2AMEN1CNR2
SCHEMBL9232440 0.87 MEN1 (0.53) ALDH1A1RAB9AKMT2AMEN1ITGB2
SCHEMBL10748157 0.87 GAA (0.59) ALDH1A1KMT2AMEN1CNR2ITGB3
SCHEMBL27694708 0.87 GAA (0.59) ALDH1A1KMT2AMEN1CNR2ITGB3
SCHEMBL10770401 0.87 GAA (0.59) ALDH1A1KMT2AMEN1CNR2ITGB3
SCHEMBL20327985 0.86 MEN1 (0.56) ALDH1A1RAB9AKMT2AMEN1ITGB2
SCHEMBL20298454 0.86 MEN1 (0.56) ALDH1A1RAB9AKMT2AMEN1ITGB2
SCHEMBL21724563 0.84 LTA4H (0.51) CNR2CTSLCTSBCTSSPSMB5
SCHEMBL21724560 0.84 LTA4H (0.51) CNR2CTSLCTSBCTSSPSMB5

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-1052968-B1 ALPHA-AMIDES OF(L)-AMINO ACIDS AS FRAGRANCE PRECURSORS GILLETTE CO (US) 2007-12-05 — — EP claimed
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