SCHEMBL9853946

SCHEMBL9853946

CCC[C@H]1CC[C@H](C(=O)Oc2ccc([C@H]3CC[C@H](CCC)CC3)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.58
ALDH1A1 P00352 1/20 0.56
LMNA P02545 1/20 0.56
MAPT P10636 1/20 0.56
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
F2 P00734 1/20 0.45
ELANE P08246 2/20 0.44
ESR2 Q92731 2/20 0.41
RAB9A P51151 1/20 0.40
ATM Q13315 1/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL11407698 1.00 CYP2C9 (0.58) CYP2C9ALDH1A1LMNAMAPTKMT2A
SCHEMBL9853941 1.00 CYP2C9 (0.58) CYP2C9ALDH1A1LMNAMAPTKMT2A
SCHEMBL7913978 0.96 CYP2C9 (0.54) CYP2C9ALDH1A1LMNAMAPTKMT2A
SCHEMBL10909937 0.96 CYP2C9 (0.54) CYP2C9ALDH1A1LMNAMAPTKMT2A
SCHEMBL11498370 0.96 CYP2C9 (0.54) CYP2C9ALDH1A1LMNAMAPTKMT2A
SCHEMBL10909932 0.96 CYP2C9 (0.54) CYP2C9ALDH1A1LMNAMAPTKMT2A
SCHEMBL8203718 0.96 CYP2C9 (0.54) CYP2C9ALDH1A1LMNAMAPTKMT2A
SCHEMBL7913972 0.96 CYP2C9 (0.54) CYP2C9ALDH1A1LMNAMAPTKMT2A
SCHEMBL7913982 0.96 CYP2C9 (0.54) CYP2C9ALDH1A1LMNAMAPTKMT2A
SCHEMBL7913975 0.96 CYP2C9 (0.54) CYP2C9ALDH1A1LMNAMAPTKMT2A

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
EP-0459306-A2 Liquid crystal wave front corrector Finkenzeller, Hans-Ulrich, Dr. (DE) 1991-12-04 EP disclosed