SCHEMBL8001508

SCHEMBL8001508

Cn1cccc1CC(N)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 5/20 0.50
ALPI P09923 1/20 0.50
PKM P14618 1/20 0.50
PTGS1 P23219 1/20 0.50
XIAP P98170 1/20 0.50
SLC1A3 P43003 2/20 0.45
ALDH1A1 P00352 3/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NOS3 P29474 2/20 0.42
NOS1 P29475 2/20 0.42
NOS2 P35228 2/20 0.42
CYP1A2 P05177 2/20 0.41
RECQL P46063 2/20 0.41
MAPT P10636 1/20 0.41
TYR P14679 2/20 0.41
GRIA1 P42261 1/20 0.41
GRIA2 P42262 1/20 0.41
GRIA3 P42263 1/20 0.41
GRIA4 P48058 1/20 0.41

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
SCHEMBL8001504 1.00 SLC7A5 (0.50) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL31370394 0.79 NOS3 (0.49) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL31370517 0.77 SLC7A5 (0.47) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL10667564 0.76 MEN1 (0.45) ALDH1A1MAPTCYP2C19
SCHEMBL9736835 0.72 ALDH1A1 (0.47) ALDH1A1RAB9ASMN1; SMN2CYP1A2RECQL
SCHEMBL867896 0.72 ALDH1A1 (0.53) PTGS1ALDH1A1RAB9ASMN1; SMN2CYP1A2
SCHEMBL16159934 0.71 RAB9A (0.40) ALDH1A1RAB9ASMN1; SMN2CYP1A2RECQL
SCHEMBL28559 0.71 SLC1A3 (0.51) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL17791881 0.71 SLC1A3 (0.47) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL28560 0.71 SLC1A3 (0.51) SLC7A5ALPIPKMPTGS1XIAP

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6084065-A FOR AGRICULTURAL USE ISAGRO SPA (IT) 2000-07-04 US claimed
EP-0652229-A2 Oligopeptides with fungicidal activity ISAGRO S.p.A. (IT) 1995-05-10 EP claimed
US-20240240167-A1 Modified Enzyme and Method of Producing Imidazole Dipeptide Using Same AJINOMOTO CO., INC. (JP) 2024-07-18 US disclosed
US-6084065-A FOR AGRICULTURAL USE ISAGRO SPA (IT) 2000-07-04 US disclosed
EP-0652229-A2 Oligopeptides with fungicidal activity ISAGRO S.p.A. (IT) 1995-05-10 EP disclosed