SCHEMBL8684367

SCHEMBL8684367

Cc1ccc2c(c1)[C@H](c1cccc3ccccc13)S[C@@H](CC(=O)O)C(=O)N2CC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.36
ALDH1A1 P00352 3/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
CDC25A P30304 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
POLB P06746 2/20 0.34
FDFT1 P37268 1/20 0.34
CCKBR P32239 3/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
ALOX5 P09917 1/20 0.33
PIM1 P11309 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
CCR4 P51679 1/20 0.32
HKDC1 Q2TB90 1/20 0.32

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
SCHEMBL8684377 1.00 GSK3B (0.36) GSK3BALDH1A1LMNATP53MAPT
SCHEMBL8684371 1.00 GSK3B (0.36) GSK3BALDH1A1LMNATP53MAPT
SCHEMBL8684157 0.90 ALDH1A1 (0.39) GSK3BALDH1A1TP53MAPTCDC25A
SCHEMBL8684150 0.90 ALDH1A1 (0.39) GSK3BALDH1A1TP53MAPTCDC25A
SCHEMBL8636199 0.90 FDFT1 (0.43) ALDH1A1LMNAMAPTFDFT1HTT
SCHEMBL8636201 0.90 FDFT1 (0.43) ALDH1A1LMNAMAPTFDFT1HTT
SCHEMBL8684153 0.90 ALDH1A1 (0.39) GSK3BALDH1A1TP53MAPTCDC25A
SCHEMBL8636205 0.90 FDFT1 (0.43) ALDH1A1LMNAMAPTFDFT1HTT
SCHEMBL8686109 0.89 ALDH1A1 (0.34) GSK3BALDH1A1MAPTCDC25AMEN1
SCHEMBL8686114 0.89 ALDH1A1 (0.34) GSK3BALDH1A1MAPTCDC25AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5770594-A ANTICHOLESTEROL AGENTS, INHIBITORS OF CHOLESTEROL SYNTHESIS PFIZER INC. (US) 1998-06-23 US claimed
WO-1996020184-A1 NAPHTHYL-BENZOXAZEPINES OR -BENZOTHIAZEPINES AS SQUALENE SYNTHETASE INHIBITORS PFIZER INC. (US) 1996-07-04 WO claimed
US-5770594-A ANTICHOLESTEROL AGENTS, INHIBITORS OF CHOLESTEROL SYNTHESIS PFIZER INC. (US) 1998-06-23 US disclosed
WO-1996020184-A1 NAPHTHYL-BENZOXAZEPINES OR -BENZOTHIAZEPINES AS SQUALENE SYNTHETASE INHIBITORS PFIZER INC. (US) 1996-07-04 WO disclosed