SCHEMBL5196134

SCHEMBL5196134

CC(C)(C)[Si](C)(C)OCC#CCCc1sc2ccccc2c1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.43
PTGER4 P35408 2/20 0.35
ALDH1A1 P00352 5/20 0.31
HPGD P15428 4/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
RAB9A P51151 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MAPT P10636 3/20 0.31
LMNA P02545 1/20 0.31
NR2F2 P24468 1/20 0.31
HTT P42858 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALOX15 P16050 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
SCHEMBL15759413 0.74 LOXL2 (0.44) LOXL2PTGER4ALDH1A1HPGDNPC1
SCHEMBL662349 0.73 LOXL2 (0.41) LOXL2PTGER4ALDH1A1HPGDNPC1
SCHEMBL13143573 0.71 LOXL2 (0.61) LOXL2ALDH1A1HPGDTP53MAPT
SCHEMBL17256159 0.70 LOXL2 (0.43) LOXL2PTGER4ALDH1A1HPGDNPC1
SCHEMBL660560 0.69 LOXL2 (0.39) LOXL2PTGER4ALDH1A1HPGDNPC1
SCHEMBL660561 0.69 LOXL2 (0.39) LOXL2PTGER4ALDH1A1HPGDNPC1
SCHEMBL5196496 0.67 AGXT (0.46) LOXL2ASIC3
SCHEMBL17256209 0.66 LOXL2 (0.41) LOXL2PTGER4ALDH1A1HPGDNPC1
SCHEMBL17256208 0.66 LOXL2 (0.41) LOXL2PTGER4ALDH1A1HPGDNPC1
SCHEMBL13179819 0.65 LOXL2 (0.61) LOXL2ALDH1A1HPGDMAPTCD274

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
EP-1814848-A1 2,3,4-SUBSTITUTED-CYCLOPENTANONES AS THERAPEUTIC AGENTS Allergan, Inc. (US) 2007-08-08 EP disclosed
EP-1812387-A1 2,3,4-SUBSTITUTED CYCLOPENTANONES AS THERAPEUTIC AGENTS Allergan, Inc. (US) 2007-08-01 EP disclosed
WO-2006058063-A1 2,3,4-SUBSTITUTED-CYCLOPENTANONES AS THERAPEUTIC AGENTS ALLERGAN, INC. (US) 2006-06-01 WO disclosed
WO-2006055481-A1 2,3,4-SUBSTITUTED CYCLOPENTANONES AS THERAPEUTIC AGENTS ALLERGAN , INC. (US) 2006-05-26 WO disclosed