SCHEMBL920338

SCHEMBL920338

CCC(SCC1(c2ccc(Cl)cc2)OCC(C)(C)CO1)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
MAPK1 P28482 2/20 0.33
SLC6A4 P31645 4/20 0.32
SLC6A3 Q01959 4/20 0.32
SLC6A2 P23975 3/20 0.32
CHRNA1 P02708 2/20 0.32
CHRNG P07510 2/20 0.32
CHRNB1 P11230 2/20 0.32
CHRNB2 P17787 2/20 0.32
CHRNB4 P30926 2/20 0.32
CHRNA3 P32297 2/20 0.32
CHRNA4 P43681 2/20 0.32
CHRND Q07001 2/20 0.32
HTT P42858 2/20 0.32
LMNA P02545 2/20 0.32
MAPT P10636 2/20 0.32
ABCB11 O95342 1/20 0.32
CCR2 P41597 2/20 0.32
KIF11 P52732 2/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL919078 0.89 L3MBTL1 (0.35) ALDH1A1SLC6A3SLC6A2CHRNA1CHRNG
SCHEMBL918509 0.89 POLB (0.38) ALDH1A1SLC6A3SLC6A2CHRNB2CHRNB4
SCHEMBL919334 0.86 LDHA (0.35) ALDH1A1MAPK1CHRNA1CHRNGCHRNB1
SCHEMBL920139 0.78 ALDH1A1 (0.41) ALDH1A1MAPK1SLC6A4SLC6A3SLC6A2
SCHEMBL27685512 0.75 ALDH1A1 (0.36) ALDH1A1MAPK1SLC6A4SLC6A3SLC6A2
SCHEMBL27704343 0.73 ALDH1A1 (0.33) ALDH1A1MAPK1SLC6A4SLC6A3SLC6A2
SCHEMBL28618351 0.69 SLC6A4 (0.39) ALDH1A1MAPK1SLC6A4SLC6A3SLC6A2
SCHEMBL27704339 0.68 APOBEC3A (0.36) ALDH1A1
SCHEMBL11231543 0.68 SLC6A4 (0.38) ALDH1A1MAPK1SLC6A4SLC6A3SLC6A2
SCHEMBL918769 0.66 L3MBTL1 (0.40) ALDH1A1SLC6A3SLC6A2CHRNA1CHRNG

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7871998-B2 Diphenylazetidinone derivatives possessing cholesterol absorption inhibitory activity ASTRAZENECA AB (SE) 2011-01-18 US disclosed