SCHEMBL13645679

SCHEMBL13645679

CC12C[C@H](ON(O)O)C3c4ccc(O)cc4CCC3C1CC[C@@H]2ON(O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.49
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
LMNA P02545 4/20 0.49
MAPK1 P28482 3/20 0.49
TSHR P16473 3/20 0.49
CYP3A4 P08684 3/20 0.49
RECQL P46063 2/20 0.49
ALOX15 P16050 2/20 0.49
AKR1C3 P42330 1/20 0.49
BRCA1 P38398 1/20 0.49
ESR1 P03372 8/20 0.48
ESR2 Q92731 6/20 0.48
PTPN11 Q06124 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
STS P08842 3/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
MAPT P10636 3/20 0.47

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
SCHEMBL13341953 0.86 MEN1 (0.48) HSD17B10MEN1KMT2ALMNAMAPK1
SCHEMBL10356258 0.79 HSD17B10 (0.52) HSD17B10MEN1KMT2ALMNAMAPK1
SCHEMBL8775736 0.79 HSD17B10 (0.52) HSD17B10MEN1KMT2ALMNAMAPK1
SCHEMBL6854850 0.78 ESR1 (0.64) HSD17B10MEN1KMT2ALMNAMAPK1
SCHEMBL9144315 0.78 ESR1 (0.64) HSD17B10MEN1KMT2ALMNAMAPK1
SCHEMBL6854847 0.78 ESR1 (0.64) HSD17B10MEN1KMT2ALMNAMAPK1
SCHEMBL24399389 0.75 ESR1 (0.61) HSD17B10MEN1KMT2ALMNAMAPK1
SCHEMBL20015657 0.75 ESR1 (0.61) HSD17B10MEN1KMT2ALMNAMAPK1
SCHEMBL20010589 0.75 HSD17B10 (0.49) HSD17B10MEN1KMT2ALMNAMAPK1
SCHEMBL20010587 0.75 HSD17B10 (0.49) HSD17B10MEN1KMT2ALMNAMAPK1

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-2009132208-A1 ORAL CONTRACEPTIVE DOSAGE FORMS COMPRISING A PROGESTOGEN DISPERSED IN AN ENTERIC POLYMER AND FURTHER COMPRISING AN ESTROGEN EVESTRA, INC. (US) 2009-10-29 WO disclosed