SCHEMBL2283073

SCHEMBL2283073

CC1(C)OB(c2ccc(C=CCN[C@](C(=O)O)(c3ccccc3)C3CCCC3)cc2)OC1(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HB P07237 1/20 0.46
CHRM3 P20309 1/20 0.36
LIPG Q9Y5X9 2/20 0.35
LPL P06858 1/20 0.35
F2 P00734 2/20 0.34
F11 P03951 2/20 0.34
PRSS1 P07477 2/20 0.34
PRSS2 P07478 2/20 0.34
PRSS3 P35030 2/20 0.34
KEAP1 Q14145 2/20 0.34
NFE2L2 Q16236 2/20 0.34
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL2283055 1.00 P4HB (0.46) P4HBCHRM3LIPGLPLF2
SCHEMBL2283060 1.00 P4HB (0.46) P4HBCHRM3LIPGLPLF2
SCHEMBL2281172 0.84 P4HB (0.44) P4HBCHRM3LIPGLPLF2
SCHEMBL2281184 0.84 P4HB (0.44) P4HBCHRM3LIPGLPLF2
SCHEMBL2283388 0.82 P4HB (0.42) P4HBLIPGLPLF2F11
SCHEMBL2283382 0.82 P4HB (0.42) P4HBLIPGLPLF2F11
SCHEMBL2283537 0.76 LIPG (0.43) CHRM3LIPGLPLF2F11
SCHEMBL2283534 0.76 LIPG (0.43) CHRM3LIPGLPLF2F11
SCHEMBL3273490 0.73 P4HB (0.44) P4HBLIPGLPLF2F11
SCHEMBL3273502 0.73 P4HB (0.44) P4HBLIPGLPLF2F11

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2078007-B1 IKK-BETA SERINE-THREONINE PROTEIN KINASE INHIBITORS CHROMA THERAPEUTICS LTD (GB) 2011-08-31 EP disclosed
US-8003695-B2 IKK-beta serine-threonine protein kinase inhibitors CHROMA THERAPEUTICS LTD. (GB) 2011-08-23 US disclosed