SCHEMBL2283537

SCHEMBL2283537

CC1(C)OB(c2cccc(CCN[C@](C(=O)O)(c3ccccc3)C3CCCC3)c2)OC1(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 2/20 0.43
LPL P06858 1/20 0.43
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
F2 P00734 1/20 0.34
F11 P03951 1/20 0.34
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
HIF1A Q16665 1/20 0.34
TAAR1 Q96RJ0 4/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
GLA P06280 1/20 0.33
ROCK1 Q13464 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32

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
SCHEMBL2283534 1.00 LIPG (0.43) LIPGLPLKEAP1NFE2L2CYP3A4
SCHEMBL1200148 0.76 LIPG (0.44) LIPGLPLHIF1ATAAR1GLA
SCHEMBL2283060 0.76 P4HB (0.46) LIPGLPLKEAP1NFE2L2F2
SCHEMBL2283055 0.76 P4HB (0.46) LIPGLPLKEAP1NFE2L2F2
SCHEMBL2283073 0.76 P4HB (0.46) LIPGLPLKEAP1NFE2L2F2
SCHEMBL2145222 0.73 LIPG (0.58) LIPGLPLCA1CA2CA9
SCHEMBL2283542 0.72 LIPG (0.41) LIPGLPLCYP3A4CYP2D6HIF1A
SCHEMBL12374507 0.72 MAPK14 (0.45) LIPGLPL
SCHEMBL18706929 0.71 LIPG (0.58) LIPGLPLHIF1A
SCHEMBL25811088 0.71 LIPG (0.58) LIPGLPLTAAR1ROCK1TSHR

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