SCHEMBL9256417

SCHEMBL9256417

O=C(C1=COc2cc(O)ccc2O1)N1CCN(C(=O)c2ccc(F)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 1/20 0.41
HSP90AA1 P07900 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HSD11B1 P28845 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPK1 P28482 1/20 0.41
MGLL Q99685 1/20 0.40
EPHX2 P34913 2/20 0.40

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
SCHEMBL9257252 0.88 GRM5 (0.36) ALDH1A1LMNAGAASMN1; SMN2HSD11B1
SCHEMBL9261971 0.87 HSD11B1 (0.56) ALDH1A1LMNAGAASMN1; SMN2POLB
SCHEMBL9254614 0.85 MGLL (0.43) ALDH1A1LMNAMGLL
SCHEMBL9257899 0.81 ALDH1A1 (0.42) ALDH1A1LMNAMGLL
SCHEMBL9257657 0.78 HPGD (0.47) ALDH1A1SMN1; SMN2
SCHEMBL9261700 0.77 MGLL (0.49) ALDH1A1LMNAGAASMN1; SMN2POLB
SCHEMBL9257855 0.77 KDM4E (0.50) ALDH1A1L3MBTL1KDM4EMGLL
SCHEMBL9257887 0.76 MGLL (0.41) ALDH1A1HSD11B1KDM4EMGLL
SCHEMBL9261899 0.76 ALDH1A1 (0.55) ALDH1A1LMNASMN1; SMN2L3MBTL1KDM4E
SCHEMBL9254577 0.76 SMN1; SMN2 (0.51) CA12CA2CA9ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5439909-A 2-Substituted with amide or thioamide group; antioxidant for lipoproteins, antilipemic agents, anticholesterol agents ADIR ET COMPAGNIE (FR) 1995-08-08 US disclosed
US-5420132-A Antilipemic agents ADIR ET COMPAGNIE (FR) 1995-05-30 US disclosed
EP-0624582-A1 Substituted benzodioxine, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1994-11-17 EP disclosed