SCHEMBL9253329

SCHEMBL9253329

O=C(C1=COc2cc(O)ccc2O1)N1CCC(c2ccccc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCD5 Q86SK9 8/20 0.46
SPR P35270 2/20 0.46
SCD O00767 2/20 0.43
HSD11B1 P28845 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
PARP14 Q460N5 1/20 0.41
PARP10 Q53GL7 1/20 0.41
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
KMT2A Q03164 1/20 0.40
MGLL Q99685 1/20 0.40
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
AVPR1A P37288 1/20 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
SCHEMBL9262291 0.87 GRIN1 (0.38) SCD5SPRRAB9ANPC1ALDH1A1
SCHEMBL9253316 0.84 LTB4R (0.56) SPRMGLL
SCHEMBL9257657 0.83 HPGD (0.47) RAB9ANPC1KMT2AALDH1A1
SCHEMBL9261899 0.79 ALDH1A1 (0.55) KMT2AALDH1A1L3MBTL1
SCHEMBL9254577 0.79 SMN1; SMN2 (0.51) CA12CA2CA9NPC1KMT2A
SCHEMBL9261873 0.77 MEN1 (0.53) HSD11B1KMT2AALDH1A1
SCHEMBL9261971 0.76 HSD11B1 (0.56) HSD11B1MGLLALDH1A1
SCHEMBL9261138 0.76 DRD2 (0.51) KMT2A
SCHEMBL9257855 0.75 KDM4E (0.50) KMT2AMGLLALDH1A1L3MBTL1
SCHEMBL9256417 0.74 CA12 (0.43) HSD11B1CA12CA1CA2CA7

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