SCHEMBL6797313

SCHEMBL6797313

CC(C)(C)OC(=O)[C@@H]1CCCC[C@H]1c1ccc(Cn2c(Cl)nc3ccccc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 1/20 0.43
TP53 P04637 1/20 0.43
MMP7 P09237 3/20 0.42
MMP12 P39900 3/20 0.42
MMP3 P08254 2/20 0.42
MMP10 P09238 2/20 0.42
MMP8 P22894 2/20 0.42
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
TBXA2R P21731 2/20 0.41
DRD2 P14416 1/20 0.41
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 1/20 0.40
NOD1 Q9Y239 1/20 0.40
ALOX5AP P20292 1/20 0.40

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
SCHEMBL6777744 0.85 TBXA2R (0.52) PTAFRTBXA2RALOX5AP
SCHEMBL9121396 0.74 AGTR1 (0.58) TBXA2RDRD2
SCHEMBL5837839 0.74 SLC6A2 (0.52) SLC6A2SLC6A4
SCHEMBL5837836 0.74 SLC6A2 (0.52) SLC6A2SLC6A4
SCHEMBL5837841 0.74 SLC6A2 (0.52) SLC6A2SLC6A4
SCHEMBL8391700 0.74 PPARG (0.54) TBXA2RDRD2
SCHEMBL8411049 0.74 USP2 (0.55) TBXA2RALOX5AP
SCHEMBL6797316 0.74 TBXA2R (0.42) PTAFRTP53KDM4ELMNATBXA2R
SCHEMBL9422538 0.73 AGTR1 (0.50)
SCHEMBL9039784 0.73 PPARG (0.46) MMP7MMP12MMP3MMP10MMP8

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-6716849-B1 ISCHEMIC BRAIN DISORDERS; NEUROPROTECTANTS BAYER AKTIENGESELLSCHAFT (DE) 2004-04-06 US disclosed