SCHEMBL6003949

SCHEMBL6003949

CC1(OC(=O)c2ccccc2)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LGALS9 O00182 1/20 0.44
LGALS1 P09382 1/20 0.44
LGALS3 P17931 1/20 0.44
LGALS7; LGALS7B P47929 1/20 0.44
MAOB P27338 1/20 0.41
ALDH1A1 P00352 2/20 0.40
PYGB P11216 2/20 0.39
SLC5A1 P13866 2/20 0.38
SLC5A2 P31639 2/20 0.38
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL28268402 0.82 LGALS9 (0.45) LGALS9LGALS1LGALS3LGALS7; LGALS7BMAOB
SCHEMBL28858707 0.82 LGALS9 (0.43) LGALS9LGALS1LGALS3LGALS7; LGALS7BMAOB
SCHEMBL18920455 0.81 PYGB (0.44) PYGBSLC5A1SLC5A2
SCHEMBL9614208 0.77 LGALS9 (0.43) LGALS9LGALS1LGALS3LGALS7; LGALS7BMAOB
SCHEMBL27990636 0.77 GAA (0.44) LGALS9LGALS1LGALS3LGALS7; LGALS7BMAOB
SCHEMBL6009962 0.77 SLC5A1 (0.39) PYGBSLC5A1SLC5A2
SCHEMBL10378269 0.77 LGALS3 (0.41) LGALS9LGALS1LGALS3LGALS7; LGALS7BMAOB
SCHEMBL27493019 0.76 KMT2A (0.41) LGALS9LGALS1LGALS3LGALS7; LGALS7BMAOB
SCHEMBL38660477 0.75 TSHR (0.47) ALDH1A1TP53TSHR
SCHEMBL16076780 0.74 SLC5A2 (0.42) MAOBSLC5A1SLC5A2

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-1395230-B1 FILM-FORMING COSMETIC COMPOSITION OREAL (FR) 2006-10-25 EP claimed