SCHEMBL919334

SCHEMBL919334

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.35
ALDH1A1 P00352 3/20 0.35
KIF11 P52732 2/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
CHRNA1 P02708 1/20 0.34
CHRNG P07510 1/20 0.34
CHRNB1 P11230 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
CHRND Q07001 1/20 0.34
HSD11B1 P28845 1/20 0.34
AKR1C3 P42330 3/20 0.33
AKR1C2 P52895 3/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
AKR1C1 Q04828 1/20 0.33
PTGS1 P23219 1/20 0.33

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 0.87 L3MBTL1 (0.35) ALDH1A1KIF11CHRNA1CHRNGCHRNB1
SCHEMBL918509 0.87 POLB (0.38) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL920338 0.86 ALDH1A1 (0.36) ALDH1A1KIF11CHRNA1CHRNGCHRNB1
SCHEMBL919210 0.79 ALDH1A1 (0.40) ALDH1A1GRIN1GRIN2BCHRNA1CHRNG
SCHEMBL28611458 0.70 CHRNA1 (0.41) GRIN1GRIN2BCHRNA1CHRNGCHRNB1
SCHEMBL7879750 0.70 GRIN1 (0.43) ALDH1A1GRIN1GRIN2BCHRNA1CHRNG
SCHEMBL11246464 0.68 GRIN1 (0.40) ALDH1A1GRIN1GRIN2BCHRNA1CHRNG
SCHEMBL920192 0.67 HDAC3 (0.55) HSD11B1RAB9ASMN1; SMN2
SCHEMBL10837791 0.66 CHRNA1 (0.38) ALDH1A1CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL11248824 0.66 GRIN1 (0.43) ALDH1A1GRIN1GRIN2BCHRNA1CHRNG

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