SCHEMBL7430505

SCHEMBL7430505

CCOC(=O)OC1(CCCCCCCOc2cccc(F)c2)CO1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.44
ABCB11 O95342 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.39
TDP1 Q9NUW8 2/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
SMPD1 P17405 3/20 0.37
MAOB P27338 1/20 0.37
MTNR1A P48039 3/20 0.36
MTNR1B P49286 3/20 0.36

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
SCHEMBL7422714 0.96 MEN1 (0.43) MAPK1ABCB11LMNAMAPTMEN1
SCHEMBL7432301 0.87 LMNA (0.53) MAPK1ABCB11LMNAMAPTMEN1
SCHEMBL6264573 0.87 LMNA (0.53) MAPK1ABCB11LMNAMAPTMEN1
SCHEMBL7426444 0.87 MAPT (0.52) MAPK1ABCB11LMNAMAPTMEN1
SCHEMBL6263163 0.87 MAPT (0.52) MAPK1ABCB11LMNAMAPTMEN1
SCHEMBL6259595 0.86 ABCB11 (0.50) MAPK1ABCB11LMNAMAPTKMT2A
SCHEMBL6265451 0.85 L3MBTL1 (0.46) MAPK1ABCB11LMNAMAPTMEN1
SCHEMBL7438468 0.85 MAPT (0.50) MAPK1ABCB11LMNAMAPTMEN1
SCHEMBL11205507 0.84 NAAA (0.42) LMNAMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL11300087 0.83 MAPK1 (0.65) MAPK1ABCB11LMNAMAPTMEN1

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