SCHEMBL19805073

SCHEMBL19805073

CCCN1C(=O)OC(C)(C)c2cc(NS(=O)(=O)Cc3ccc(C)cc3)ccc21

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PGR P06401 7/20 0.47
BRD4 O60885 8/20 0.42
FSHR P23945 1/20 0.39
BRPF1 P55201 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
GAA P10253 1/20 0.34

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
SCHEMBL19805108 0.92 PGR (0.57) PGRBRD4FSHRBRPF1HDAC1
SCHEMBL20616484 0.83 PGR (0.45) PGRBRD4FSHR
SCHEMBL19805107 0.80 BRD4 (0.44) PGRBRD4FSHRBRPF1HDAC1
SCHEMBL19805070 0.78 BRD4 (0.42) BRD4BRPF1HDAC1HDAC8HDAC6
SCHEMBL19805072 0.78 BRD4 (0.42) BRD4BRPF1HDAC1HDAC8HDAC6
SCHEMBL20616456 0.76 BRD4 (0.40) BRD4FSHRBRPF1HDAC1HDAC8
SCHEMBL15298954 0.74 BRD4 (0.44) BRD4BRPF1HDAC1HDAC8HDAC6
SCHEMBL19805053 0.73 PGR (0.57) PGR
SCHEMBL19805106 0.73 BRD4 (0.42) BRD4BRPF1HDAC1HDAC8HDAC6
SCHEMBL20616449 0.72 PGR (0.49) PGR

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
WO-2018017490-A1 CARBAMATE QUINABACTIN THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-01-25 WO disclosed