SCHEMBL7486243

SCHEMBL7486243

COC(=O)OC1(CCCCCOCCc2ccc(Cl)cc2)CO1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
MME P08473 1/20 0.36
SLC6A2 P23975 2/20 0.35
HRH1 P35367 2/20 0.35
HRH3 Q9Y5N1 2/20 0.35
ADRB2 P07550 1/20 0.35
CHRM2 P08172 1/20 0.35
ADRA2C P18825 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
KCNH2 Q12809 1/20 0.35
CACNA1C Q13936 1/20 0.35
SCN5A Q14524 1/20 0.35
CHRM4 P08173 1/20 0.34
HTR2C P28335 1/20 0.34
HTR7 P34969 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34

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
SCHEMBL7429540 0.89 MME (0.36) LMNAMMEHRH1SLC6A3CACNA1C
SCHEMBL11018732 0.87 RAB9A (0.37) LMNAMMEHRH1SLC6A3CACNA1C
SCHEMBL7429968 0.85 MAPT (0.43) ABCB11LMNAMAPTMAPK1SLC6A2
SCHEMBL11018171 0.84 MAPT (0.47) ABCB11LMNAMAPTMAPK1SLC6A2
SCHEMBL11018542 0.83 KDM4E (0.38) LMNACACNA1CKMT2AKDM4E
SCHEMBL11296871 0.83 ABCB11 (0.56) ABCB11LMNAMAPTMAPK1MME
SCHEMBL11022819 0.82 MAPT (0.45) ABCB11LMNAMAPTMAPK1SLC6A2
SCHEMBL11018778 0.82 CYP4F2 (0.33) ABCB11LMNAMAPTMAPK1KMT2A
SCHEMBL11205253 0.81 PPARA (0.38) ABCB11LMNAMAPTMAPK1MME
SCHEMBL11210936 0.80 NAAA (0.40)

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-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
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