SCHEMBL19132804

SCHEMBL19132804

CC(C)C1(C(C)(C)C)CCC(n2cc(C(=O)N3CCOCC3)nn2)CC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.49
DPP4 P27487 2/20 0.36
PSMB8 P28062 2/20 0.35
PSMB9 P28065 2/20 0.35
PSMB5 P28074 2/20 0.35
KDM5A P29375 1/20 0.35
HRH3 Q9Y5N1 5/20 0.35
HSP90AA1 P07900 2/20 0.34
HSP90AB1 P08238 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KCNH2 Q12809 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
BLM P54132 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SMYD3 Q9H7B4 1/20 0.33
CTSS P25774 1/20 0.33
VNN1 O95497 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
SCHEMBL19128783 0.89 PSMB8 (0.41) RORCDPP4PSMB8PSMB9PSMB5
SCHEMBL19132795 0.83 RORC (0.52) RORCDPP4PSMB8PSMB9PSMB5
SCHEMBL19132857 0.83 RORC (0.47) RORCDPP4PSMB8PSMB9PSMB5
SCHEMBL19132799 0.82 RORC (0.43) RORCDPP4PSMB8PSMB9PSMB5
SCHEMBL19128945 0.82 PSMB8 (0.40) RORCDPP4PSMB8PSMB9PSMB5
SCHEMBL19128917 0.77 RORC (0.49) RORCDPP4PSMB8PSMB9PSMB5
SCHEMBL19129023 0.74 ROCK2 (0.45) RORCPSMB8PSMB9PSMB5SMN1; SMN2
SCHEMBL19128796 0.72 RORC (0.41) RORCDPP4PSMB8PSMB9PSMB5
SCHEMBL19132705 0.71 RORC (0.54) RORCPSMB8PSMB9PSMB5SMN1; SMN2
SCHEMBL19128785 0.69 RORC (0.53) RORCALDH1A1

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-9708253-B2 Cyclohexyl sulfone RORγ modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2017-07-18 US disclosed