SCHEMBL11684378

SCHEMBL11684378

O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)COc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.49
PTGS1 P23219 1/20 0.49
SLC6A2 P23975 1/20 0.49
CYP2C19 P33261 1/20 0.49
PTGS2 P35354 1/20 0.49
SLC6A3 Q01959 1/20 0.49
HIF1A Q16665 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
NR4A1 P22736 1/20 0.48
NR4A2 P43354 1/20 0.48
NR4A3 Q92570 1/20 0.48
RAB9A P51151 2/20 0.47
MAOB P27338 2/20 0.47
GAA P10253 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
MAPT P10636 1/20 0.47
MAOA P21397 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TSHR P16473 1/20 0.46

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
SCHEMBL8934296 0.84 LMNA (0.50) LMNACYP1A2HIF1AL3MBTL1TSHR
SCHEMBL8901516 0.84 TP53 (0.57) RAB9AMAOBMAPTMAOASMN1; SMN2
SCHEMBL8645545 0.82 CA1 (0.49) TSHRKMT2A
SCHEMBL29090089 0.82 CA1 (0.49) TSHRKMT2A
SCHEMBL11784051 0.82 LMNA (0.47) LMNACYP1A2PTGS1SLC6A2CYP2C19
Demannose SCHEMBL3007006 0.75 TSHR (0.46) CYP1A2CYP2C19MAPTTSHRKMT2A
SCHEMBL10492673 0.75 RAB9A (0.66) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL28234854 0.75 CYP2C9 (0.46) LMNAMAOBGAAMAPTSMN1; SMN2
SCHEMBL7688711 0.72 LMNA (0.72) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL8646883 0.72 EPHX1 (0.42) CYP1A2PTGS1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4049797-A 1-PHENOXY-2-HYDROXY-3-AMINO-PROPANE-SUGAR COMPOUND CIBA-GEIGY CORPORATION (US) 1977-09-20 US disclosed
US-3978041-A CARDIAC INSUFFICIENCY CIBA-GEIGY CORPORATION (US) 1976-08-31 US disclosed