SCHEMBL7433424

SCHEMBL7433424

CCOC(=O)OC1(CCCCCCCCOc2ccc(Cl)c(Cl)c2)CO1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.53
ABCB11 O95342 1/20 0.53
MAPT P10636 1/20 0.53
MAPK1 P28482 1/20 0.53
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 6/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
THRB P10828 4/20 0.38
THRA P10827 1/20 0.38
CPT1A P50416 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.37

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
SCHEMBL6260245 1.00 LMNA (0.53) LMNAABCB11MAPTMAPK1ALDH1A1
SCHEMBL7481816 0.99 LMNA (0.51) LMNAABCB11MAPTMAPK1ALDH1A1
SCHEMBL6262433 0.88 MAPT (0.68) LMNAABCB11MAPTMAPK1ALDH1A1
SCHEMBL6262992 0.88 MAPT (0.68) LMNAABCB11MAPTMAPK1ALDH1A1
SCHEMBL6259595 0.85 ABCB11 (0.50) LMNAABCB11MAPTMAPK1KDM4E
SCHEMBL7433095 0.84 LMNA (0.53) LMNAABCB11MAPTMAPK1MEN1
SCHEMBL11206365 0.83 SMN1; SMN2 (0.43) LMNAABCB11MAPTMAPK1ALDH1A1
SCHEMBL6264573 0.83 LMNA (0.53) LMNAABCB11MAPTMAPK1KDM4E
SCHEMBL7432301 0.83 LMNA (0.53) LMNAABCB11MAPTMAPK1KDM4E
SCHEMBL6550151 0.83 GAA (0.56) LMNAABCB11MAPTMAPK1ALDH1A1

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