SCHEMBL7438468

SCHEMBL7438468

CCOC(=O)OC1(CCCCOc2ccccc2)CO1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
LMNA P02545 3/20 0.50
ABCB11 O95342 1/20 0.50
MAPK1 P28482 1/20 0.50
TDP1 Q9NUW8 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
GAA P10253 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
LTA4H P09960 3/20 0.42
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 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
SCHEMBL7426444 0.99 MAPT (0.52) MAPTLMNAABCB11MAPK1TDP1
SCHEMBL6263163 0.99 MAPT (0.52) MAPTLMNAABCB11MAPK1TDP1
SCHEMBL7429435 0.96 TDP1 (0.49) MAPTLMNAABCB11MAPK1TDP1
SCHEMBL7429527 0.92 TDP1 (0.47) MAPTLMNAABCB11MAPK1TDP1
SCHEMBL7433095 0.90 LMNA (0.53) MAPTLMNAABCB11MAPK1GAA
SCHEMBL11280956 0.88 LMNA (0.51) MAPTLMNAABCB11MAPK1SMN1; SMN2
SCHEMBL11288232 0.87 MAPK1 (0.49) MAPTLMNAABCB11MAPK1SMN1; SMN2
SCHEMBL6550151 0.87 GAA (0.56) MAPTLMNAABCB11MAPK1TDP1
SCHEMBL7432301 0.87 LMNA (0.53) MAPTLMNAABCB11MAPK1SMN1; SMN2
SCHEMBL6262433 0.87 MAPT (0.68) MAPTLMNAABCB11MAPK1GAA

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