SCHEMBL6930581

SCHEMBL6930581

CC(=O)N1CCC(=S)[C@H]1C(=O)O.N[C@@H](Cc1ccc(OCCc2ccccc2)cc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.47
ITGA2B P08514 10/20 0.47
LTA4H P09960 1/20 0.43
FFAR1 O14842 2/20 0.43
ALPI P09923 1/20 0.41
PKM P14618 1/20 0.41
PTGS1 P23219 1/20 0.41
XIAP P98170 1/20 0.41
SLC7A5 Q01650 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
SCHEMBL6934288 0.91 PPARG (0.47) ITGB3ITGA2BLTA4H
SCHEMBL6935539 0.85 DPP4 (0.47) ITGB3ITGA2BSLC7A5
SCHEMBL6931543 0.84 CTSL (0.40) ITGB3ITGA2BALPIPKMPTGS1
SCHEMBL6935590 0.83 ITGA4 (0.48)
SCHEMBL27699155 0.79 ITGB3 (0.66) ITGB3ITGA2BLTA4HFFAR1ALPI
SCHEMBL6930981 0.79 ITGB1 (0.39) ITGB3ITGA2B
Tyrosine SCHEMBL7712095 0.75 SLC7A5 (0.50) SLC7A5
SCHEMBL7709189 0.74 ALDH1A1 (0.35) SLC7A5
SCHEMBL6935180 0.72 DPP4 (0.47) LTA4HALPIPKMPTGS1XIAP
SCHEMBL27654977 0.69 ITGB3 (0.77) ITGB3ITGA2BALPIPKMPTGS1

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-0986366-B1 POLYHYDRIC ALCOHOL STABILIZED ANTIPERSPIRANT SALT SOLUTIONS GILLETTE CO (US) 2003-12-17 EP claimed