SCHEMBL28063888

SCHEMBL28063888

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

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.64
PPARG P37231 1/20 0.63
MEN1 O00255 1/20 0.61
HCRTR1 O43613 1/20 0.61
KMT2A Q03164 1/20 0.61
ACE P12821 4/20 0.60
ITGB2 P05107 3/20 0.59
ICAM1 P05362 3/20 0.59
ITGAL P20701 3/20 0.59
ERAP2 Q6P179 1/20 0.58
P2RY14 Q15391 1/20 0.58
TP53 P04637 1/20 0.58
POLB P06746 1/20 0.58
EPHX2 P34913 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
SCHEMBL31036366 0.93 ALOX15 (0.66) ALOX15PPARGACEITGB2ICAM1
SCHEMBL31520093 0.87 PPARG (0.70) ALOX15PPARGMEN1HCRTR1KMT2A
SCHEMBL1233360 0.87 MEN1 (0.78) ALOX15PPARGMEN1HCRTR1KMT2A
SCHEMBL1231823 0.87 MEN1 (0.78) ALOX15PPARGMEN1HCRTR1KMT2A
SCHEMBL19051474 0.87 PPARG (0.70) ALOX15PPARGMEN1HCRTR1KMT2A
SCHEMBL19051476 0.87 ACE (0.67) ALOX15PPARGACEITGB2ICAM1
SCHEMBL31520113 0.87 ACE (0.67) ALOX15PPARGACEITGB2ICAM1
SCHEMBL21001416 0.86 MEN1 (0.66) ALOX15PPARGMEN1HCRTR1KMT2A
SCHEMBL21001415 0.86 MEN1 (0.66) ALOX15PPARGMEN1HCRTR1KMT2A
SCHEMBL19051488 0.86 PPARG (0.66) ALOX15PPARGMEN1HCRTR1KMT2A

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
CN-104353845-B The method of different-shape nano gold grain prepared by the tryptophan of pentanedial decoration 首都师范大学 2016-08-24 CN disclosed