SCHEMBL2283542

SCHEMBL2283542

CC1(C)OB(c2cccc(CCN[C@H](C(=O)O)c3ccccc3C3CCCC3)c2)OC1(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 2/20 0.41
LPL P06858 1/20 0.41
HIF1A Q16665 1/20 0.36
ROCK1 Q13464 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
TAAR1 Q96RJ0 4/20 0.32
GLA P06280 1/20 0.32
EP300 Q09472 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
ADRB3 P13945 3/20 0.31
EPHX2 P34913 2/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
EPHX1 P07099 1/20 0.31
TSHR P16473 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL3274043 0.82 LIPG (0.50) LIPGLPLROCK1EP300CA1
SCHEMBL12374507 0.79 MAPK14 (0.45) LIPGLPLEP300
SCHEMBL2283066 0.77 P4HB (0.44) LIPGLPLHIF1A
SCHEMBL2283534 0.72 LIPG (0.43) LIPGLPLHIF1AROCK1CYP3A4
SCHEMBL2283537 0.72 LIPG (0.43) LIPGLPLHIF1AROCK1CYP3A4
SCHEMBL2145222 0.71 LIPG (0.58) LIPGLPLCA1CA2CA9
SCHEMBL2282683 0.71 MAPK14 (0.45) LIPGLPLHIF1ACA1
SCHEMBL2282699 0.71 MAPK14 (0.45) LIPGLPLHIF1ACA1
SCHEMBL2280542 0.70 MAPK14 (0.47) LIPGLPLHIF1ACYP3A4ALDH1A1
SCHEMBL2280780 0.70 LIPG (0.39) LIPGLPLHIF1A

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-8003695-B2 IKK-beta serine-threonine protein kinase inhibitors CHROMA THERAPEUTICS LTD. (GB) 2011-08-23 US disclosed