SCHEMBL13544707

SCHEMBL13544707

CC(=O)C(C)(C)CC(=O)NC1CC1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.50
HPGD P15428 2/20 0.43
KMT2A Q03164 4/20 0.41
EPHX1 P07099 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
LMNA P02545 1/20 0.37
EPHX2 P34913 1/20 0.37
ALDH1A1 P00352 1/20 0.36
MEN1 O00255 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
SCHEMBL13544504 0.84 HSD11B1 (0.50) HSD11B1HPGDKMT2AEPHX1SMN1; SMN2
SCHEMBL23518502 0.81 HSD11B1 (0.54) HSD11B1HPGDKMT2AEPHX1SMN1; SMN2
SCHEMBL10132087 0.81 HSD11B1 (0.69) HSD11B1HPGDKMT2AEPHX1SMN1; SMN2
SCHEMBL23518575 0.81 HSD11B1 (0.54) HSD11B1HPGDKMT2AEPHX1SMN1; SMN2
SCHEMBL1515374 0.81 HSD11B1 (0.54) HSD11B1HPGDKMT2AEPHX1SMN1; SMN2
SCHEMBL13544705 0.81 SMN1; SMN2 (0.46) HSD11B1HPGDKMT2ASMN1; SMN2NPSR1
SCHEMBL13544829 0.78 HSD11B1 (0.61) HSD11B1HPGDKMT2AEPHX1SMN1; SMN2
SCHEMBL12478049 0.78 HSD11B1 (0.51) HSD11B1HPGDKMT2AEPHX1SMN1; SMN2
SCHEMBL21884192 0.76 HSD11B1 (0.58) HSD11B1HPGDKMT2AEPHX1SMN1; SMN2
SCHEMBL7373129 0.76 SMN1; SMN2 (0.44) HSD11B1HPGDKMT2AEPHX1SMN1; SMN2

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-7645771-B2 CCR5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORP. (US) 2010-01-12 US disclosed
US-7645771-B2 CCR5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORP. (US) 2010-01-12 US disclosed