SCHEMBL13628664

SCHEMBL13628664

CC[C@@H]1C=C[C@@H](NC(=O)OC(C)(C)C)C1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 5/20 0.51
NFKB2 Q00653 5/20 0.51
RELA Q04206 5/20 0.51
BTK Q06187 1/20 0.40
MAOB P27338 2/20 0.38
MAOA P21397 1/20 0.38
KDM1A O60341 2/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GAA P10253 1/20 0.36
EPHX1 P07099 1/20 0.35
EPHX2 P34913 1/20 0.35

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
SCHEMBL31454797 0.88 NFKB1 (0.51) NFKB1NFKB2RELABTKMAOB
SCHEMBL5016759 0.88 NFKB1 (0.51) NFKB1NFKB2RELABTKMAOB
SCHEMBL4998586 0.88 NFKB1 (0.51) NFKB1NFKB2RELABTKMAOB
SCHEMBL31454839 0.88 NFKB1 (0.51) NFKB1NFKB2RELABTKMAOB
SCHEMBL3906310 0.88 NFKB1 (0.51) NFKB1NFKB2RELABTKMAOB
SCHEMBL6058659 0.86 NFKB1 (0.54) NFKB1NFKB2RELABTKMAOB
SCHEMBL5545237 0.86 NFKB1 (0.50) NFKB1NFKB2RELABTKMAOB
SCHEMBL6058662 0.86 NFKB1 (0.54) NFKB1NFKB2RELABTKMAOB
SCHEMBL14511588 0.86 NFKB1 (0.50) NFKB1NFKB2RELABTKMAOB
SCHEMBL6058660 0.86 NFKB1 (0.54) NFKB1NFKB2RELABTKMAOB

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-7618970-B2 3-aminocyclopentanecarboxamides as modulators of chemokine receptors INCYTE CORPORATION (US) 2009-11-17 US disclosed