SCHEMBL10031986

SCHEMBL10031986

CC12CCC3c4ccc(OS(=O)(=O)NN)cc4CCC3C1CCC2=O

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 12/20 0.79
CA1 P00915 3/20 0.79
CA2 P00918 3/20 0.79
CA9 Q16790 3/20 0.79
ESR1 P03372 2/20 0.79
ESR2 Q92731 2/20 0.79
CA4 P22748 1/20 0.79
CA6 P23280 1/20 0.79
KDM4E B2RXH2 2/20 0.76
ABCC4 O15439 1/20 0.76
CYP2C9 P11712 1/20 0.76
ABCC1 P33527 1/20 0.76
SLCO1B1 Q9Y6L6 1/20 0.76
CYP3A4 P08684 3/20 0.72
LMNA P02545 2/20 0.72
MAPT P10636 2/20 0.72
HSD17B1 P14061 2/20 0.72
RECQL P46063 1/20 0.72
SMN1; SMN2 Q16637 1/20 0.72
ALDH1A1 P00352 1/20 0.63

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
SCHEMBL6140924 0.91 STS (0.77) STSCA1CA2CA9ESR1
SCHEMBL8214105 0.91 STS (0.77) STSCA1CA2CA9ESR1
Emate SCHEMBL305660 0.89 STS (1.00) STSCA1CA2CA9ESR1
Emate SCHEMBL29406834 0.89 STS (1.00) STSCA1CA2CA9ESR1
Emate SCHEMBL14548146 0.89 STS (1.00) STSCA1CA2CA9ESR1
Emate SCHEMBL10062721 0.89 STS (1.00) STSCA1CA2CA9ESR1
Emate SCHEMBL6370815 0.89 STS (1.00) STSCA1CA2CA9ESR1
SCHEMBL21067318 0.88 STS (0.84) STSCA1CA2CA9ESR1
SCHEMBL8034430 0.87 STS (0.82) STSCA1CA2CA9ESR1
SCHEMBL17531381 0.87 STS (0.82) STSCA1CA2CA9ESR1

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-8207152-B2 Methods for treating or preventing cancer by preventing, inhibiting, or arresting cell cycling STERIX LIMITED (GB) 2012-06-26 US disclosed
US-8207152-B2 Methods for treating or preventing cancer by preventing, inhibiting, or arresting cell cycling STERIX LIMITED (GB) 2012-06-26 US disclosed