SCHEMBL11208472

SCHEMBL11208472

CCOC(=O)OC1(CCCCc2ccc(Cl)c(Cl)c2)CO1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.43
TSHR P16473 2/20 0.43
ALDH1A1 P00352 2/20 0.40
IGF1R P08069 1/20 0.40
ALOX15 P16050 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HDAC6 Q9UBN7 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPK1 P28482 3/20 0.37
MAPT P10636 3/20 0.37
LMNA P02545 2/20 0.37
ABCB11 O95342 1/20 0.37
FFAR1 O14842 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HTT P42858 2/20 0.36
GAA P10253 1/20 0.36
TACR1 P25103 1/20 0.36
LIPG Q9Y5X9 2/20 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
SCHEMBL11206365 0.99 SMN1; SMN2 (0.43) SMN1; SMN2TSHRALDH1A1IGF1RALOX15
SCHEMBL11206369 0.97 SMN1; SMN2 (0.44) SMN1; SMN2TSHRALDH1A1IGF1RALOX15
SCHEMBL11208706 0.86 MAPT (0.48) ALDH1A1HDAC6MAPK1MAPTLMNA
SCHEMBL7359104 0.86 MAPT (0.48) ALDH1A1HDAC6MAPK1MAPTLMNA
SCHEMBL11210382 0.85 TSHR (0.44) SMN1; SMN2TSHRIGF1RALOX15HDAC6
SCHEMBL11202315 0.83 MAPT (0.45) SMN1; SMN2ALDH1A1HDAC6MAPK1MAPT
SCHEMBL7481816 0.83 LMNA (0.51) SMN1; SMN2ALDH1A1KDM4EHDAC6L3MBTL1
SCHEMBL11018171 0.82 MAPT (0.47) TSHRALDH1A1HDAC6MAPK1MAPT
SCHEMBL6260245 0.82 LMNA (0.53) SMN1; SMN2ALDH1A1KDM4EHDAC6MAPK1
SCHEMBL7433424 0.82 LMNA (0.53) SMN1; SMN2ALDH1A1KDM4EHDAC6MAPK1

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
EP-0025192-B1 SUBSTITUTED OXIRANE CARBOXYLIC ACIDS, PROCESS FOR THEIR PREPARATION, THEIR USE AND MEDICINES CONTAINING THEM Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1983-05-11 EP disclosed
EP-0025192-A2 Substituted oxirane carboxylic acids, process for their preparation, their use and medicines containing them Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1981-03-18 EP disclosed