SCHEMBL8686104

SCHEMBL8686104

CC(=O)c1ccc2c(c1)[C@H](c1cccc3ccccc13)S[C@@H](CC(=O)O)C(=O)N2CC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 1/20 0.34
CDC25A P30304 1/20 0.34
FDFT1 P37268 2/20 0.33
POLB P06746 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
XIAP P98170 2/20 0.32
SIRT5 Q9NXA8 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
PKM P14618 1/20 0.31
CCR4 P51679 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALOX5 P09917 1/20 0.31
PIM1 P11309 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
PIM2 Q9P1W9 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
SCHEMBL8686109 1.00 ALDH1A1 (0.34) ALDH1A1MAPTHPGDCDC25AFDFT1
SCHEMBL8686114 1.00 ALDH1A1 (0.34) ALDH1A1MAPTHPGDCDC25AFDFT1
SCHEMBL8684367 0.89 GSK3B (0.36) ALDH1A1MAPTCDC25AFDFT1POLB
SCHEMBL8684377 0.89 GSK3B (0.36) ALDH1A1MAPTCDC25AFDFT1POLB
SCHEMBL8684371 0.89 GSK3B (0.36) ALDH1A1MAPTCDC25AFDFT1POLB
SCHEMBL8636205 0.88 FDFT1 (0.43) ALDH1A1MAPTFDFT1HTTCCR4
SCHEMBL8684150 0.88 ALDH1A1 (0.39) ALDH1A1MAPTCDC25AFDFT1POLB
SCHEMBL8636199 0.88 FDFT1 (0.43) ALDH1A1MAPTFDFT1HTTCCR4
SCHEMBL8636201 0.88 FDFT1 (0.43) ALDH1A1MAPTFDFT1HTTCCR4
SCHEMBL8684153 0.88 ALDH1A1 (0.39) ALDH1A1MAPTCDC25AFDFT1POLB

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