SCHEMBL16888175

SCHEMBL16888175

CC(=O)N1CCC(C(=O)NC2CCC(C)(C)CC2)CC1

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 12/20 0.72
EPHX1 P07099 4/20 0.47
MAPK1 P28482 1/20 0.47
RORC P51449 1/20 0.45
REV1 Q9UBZ9 1/20 0.44
KMT2A Q03164 1/20 0.43
CYP2D6 P10635 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
GAA P10253 1/20 0.42

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
SCHEMBL19132755 0.86 EPHX2 (0.60) EPHX2EPHX1MAPK1GAA
SCHEMBL19132802 0.85 EPHX2 (0.54) EPHX2EPHX1MAPK1RORCGAA
SCHEMBL4109537 0.84 EPHX2 (1.00) EPHX2EPHX1
SCHEMBL3317488 0.83 EPHX2 (0.61) EPHX2EPHX1MAPK1CYP2D6HRH3
SCHEMBL18217021 0.79 EPHX2 (0.49) EPHX2EPHX1MAPK1RORCREV1
SCHEMBL16888280 0.79 RORC (0.50) EPHX2MAPK1RORCKMT2ACYP2D6
SCHEMBL14276927 0.79 EPHX2 (0.70) EPHX2EPHX1MAPK1KMT2ACYP2D6
SCHEMBL21738155 0.77 MAPK1 (0.49) EPHX2EPHX1MAPK1REV1KMT2A
SCHEMBL19132818 0.77 POLB (0.47) EPHX2MAPK1KMT2AGAA
SCHEMBL19132792 0.77 POLB (0.47) EPHX2MAPK1KMT2AGAA

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
US-9708253-B2 Cyclohexyl sulfone RORγ modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2017-07-18 US disclosed
WO-2015103507-A1 CYCLOHEXYL SULFONE RORϒ MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-07-09 WO disclosed