SCHEMBL7429435

SCHEMBL7429435

CCOC(=O)OC1(CCCOc2ccccc2)CO1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.49
MAPT P10636 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 3/20 0.46
MAPK1 P28482 2/20 0.46
ABCB11 O95342 1/20 0.46
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
LTA4H P09960 2/20 0.41
RECQL P46063 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
SCHEMBL7438468 0.96 MAPT (0.50) TDP1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL6263163 0.95 MAPT (0.52) TDP1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL7426444 0.95 MAPT (0.52) TDP1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL7429527 0.94 TDP1 (0.47) TDP1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL11288232 0.91 MAPK1 (0.49) MAPTSMN1; SMN2LMNAMAPK1ABCB11
SCHEMBL7433095 0.86 LMNA (0.53) MAPTGAAL3MBTL1LMNAMAPK1
SCHEMBL7422714 0.86 MEN1 (0.43) TDP1MAPTL3MBTL1LMNAMAPK1
SCHEMBL11280956 0.84 LMNA (0.51) MAPTSMN1; SMN2NPC1RAB9AGAA
SCHEMBL7428632 0.84 NAAA (0.39) TDP1MAPTSMN1; SMN2GAAL3MBTL1
SCHEMBL7438766 0.83 MAPT (0.54) TDP1MAPTGAAL3MBTL1LMNA

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
EP-0046590-B1 PHEN(ALK)OXY-SUBSTITUTED OXIRANE-CARBOXYLIC ACIDS, PROCESS FOR THEIR PREPARATION, THEIR USE AND DRUGS CONTAINING THEM Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1985-05-22 EP disclosed
WO-1982000643-A1 SUBSTITUTED OXIRANECARBONIC ACIDS,PREPARATION AND PHARMACEUTICAL UTILISATION THEREOF BYK GULDEN LOMBERG CHEM FAB (DE) 1982-03-04 WO disclosed
EP-0046590-A2 Phen(alk)oxy-substituted oxirane-carboxylic acids, process for their preparation, their use and drugs containing them Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1982-03-03 EP disclosed