SCHEMBL10216951

SCHEMBL10216951

CC1CC2CCCC(NC(=O)N[C@H](C(=O)O)C(C)(C)C)(C1)C2

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.39
EPHX2 P34913 9/20 0.35
TRPV1 Q8NER1 1/20 0.34
EPHX1 P07099 3/20 0.33
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.31
HTT P42858 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
SCHEMBL636110 0.79 EPHX2 (0.55) L3MBTL1EPHX2EPHX1MEN1MAPK1
SCHEMBL636111 0.79 EPHX2 (0.55) L3MBTL1EPHX2EPHX1MEN1MAPK1
SCHEMBL18720743 0.75 EPHX1 (0.39) L3MBTL1EPHX2TRPV1EPHX1KMT2A
SCHEMBL18720725 0.74 KMT2A (0.39) L3MBTL1EPHX2TRPV1EPHX1KMT2A
SCHEMBL23900514 0.71 EPHX2 (0.37) EPHX2EPHX1MEN1KMT2AALDH1A1
SCHEMBL18720724 0.71 EPHX2 (0.40) EPHX2EPHX1KMT2AALDH1A1LMNA
SCHEMBL18671588 0.70 GAA (0.34) L3MBTL1EPHX2TRPV1EPHX1MEN1
SCHEMBL19841736 0.70 GAA (0.34) L3MBTL1EPHX2TRPV1EPHX1MEN1
SCHEMBL16365922 0.69 EPHX2 (0.48) EPHX2EPHX1MEN1KMT2AALDH1A1
SCHEMBL13711391 0.68 CA2 (0.33)

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
EP-2086995-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-02-22 EP disclosed