SCHEMBL11208727

SCHEMBL11208727

CCOC(=O)OC1(CCCc2ccccc2Cl)CO1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.42
MAPT P10636 4/20 0.41
CYP4F2 P78329 2/20 0.40
CYP4A11 Q02928 2/20 0.40
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
GAA P10253 2/20 0.37
HPGD P15428 1/20 0.37
NLRP3 Q96P20 1/20 0.36
RAB9A P51151 3/20 0.36
LMNA P02545 2/20 0.36
ABCB11 O95342 1/20 0.36
MAPK1 P28482 1/20 0.36
SLC26A6 Q9BXS9 1/20 0.36
NPC1 O15118 1/20 0.35

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
SCHEMBL11207157 0.83 KMT2A (0.45) ALDH1A1MAPTLMNA
SCHEMBL11202315 0.81 MAPT (0.45) ALDH1A1MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL11268767 0.81 MAPT (0.56) ALDH1A1MAPTCYP4F2CYP4A11KDM4E
SCHEMBL11206369 0.80 SMN1; SMN2 (0.44) ALDH1A1MAPTCYP4F2CYP4A11KDM4E
SCHEMBL11205681 0.79 MAPT (0.42) ALDH1A1MAPTCYP4F2CYP4A11KDM4E
SCHEMBL11207422 0.79 KCNA3 (0.42) ALDH1A1MAPTLMNA
SCHEMBL11214189 0.79 MEN1 (0.40) ALDH1A1MAPTCYP1A2CYP3A4CYP2C19
SCHEMBL11201202 0.78 KCNA3 (0.41) ALDH1A1MAPTLMNA
SCHEMBL11203299 0.78 KCNA3 (0.41) ALDH1A1MAPTLMNA
SCHEMBL11206024 0.78 KCNA3 (0.41) ALDH1A1MAPTLMNA

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