SCHEMBL8842004

SCHEMBL8842004

COC(=O)CCC(C)(c1ccc(OCc2ccc3ccccc3n2)cc1)c1ccc(OCc2nc3ccccc3s2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
MAPT P10636 2/20 0.49
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ALOX5 P09917 2/20 0.48
EPHX2 P34913 2/20 0.48
CYSLTR2 Q9NS75 1/20 0.47
CYSLTR1 Q9Y271 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47
CYP2C19 P33261 1/20 0.47
HIF1A Q16665 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ALOX5AP P20292 1/20 0.47
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL8312400 0.91 CYSLTR1 (0.55) ALDH1A1MAPTMEN1NPC1RAB9A
SCHEMBL8309648 0.90 CYSLTR1 (0.54) ALDH1A1MAPTMEN1NPC1RAB9A
SCHEMBL8309656 0.90 CYSLTR1 (0.54) ALDH1A1MAPTMEN1NPC1RAB9A
SCHEMBL7598790 0.90 CYSLTR1 (0.56) ALOX5CYSLTR2CYSLTR1ALOX5AP
SCHEMBL8309652 0.90 NPC1 (0.47) ALDH1A1MAPTMEN1NPC1RAB9A
SCHEMBL8842339 0.87 CYSLTR1 (0.53) ALOX5CYSLTR2CYSLTR1ALOX5AP
SCHEMBL7607544 0.82 MAPT (0.60) ALDH1A1MAPTMEN1NPC1RAB9A
SCHEMBL7599588 0.82 CYSLTR1 (0.62) ALOX5CYSLTR2CYSLTR1ALOX5AP
SCHEMBL7608634 0.81 MAPT (0.59) ALDH1A1MAPTMEN1NPC1RAB9A
SCHEMBL7608640 0.80 CYP1A2 (0.55) ALDH1A1MAPTMEN1NPC1RAB9A

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-5668150-A ANTIALLERGY, ANTIINFLAMMATORY ABBOTT LABORATORIES (US) 1997-09-16 US disclosed