SCHEMBL7827752

SCHEMBL7827752

C[C@]12CC[C@@H]3c4ccc(OC5CCCCO5)cc4CC[C@@H]3[C@@H]1CCC2=C(F)F

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.69
MAPT P10636 5/20 0.49
LMNA P02545 3/20 0.49
HSD17B1 P14061 2/20 0.49
RECQL P46063 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
STS P08842 7/20 0.48
CYP2C9 P11712 2/20 0.48
ABCC4 O15439 1/20 0.48
ABCC1 P33527 1/20 0.48
SLCO1B1 Q9Y6L6 1/20 0.48
ESR1 P03372 3/20 0.47
PGR P06401 2/20 0.47
NR3C1 P04150 1/20 0.47
GAA P10253 1/20 0.47
MAPK1 P28482 1/20 0.47
ESR2 Q92731 2/20 0.46
CA1 P00915 1/20 0.46

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
SCHEMBL7830895 1.00 HSD11B1 (0.69) HSD11B1MAPTLMNAHSD17B1RECQL
SCHEMBL1657336 0.91 HSD11B1 (0.67) HSD11B1MAPTLMNAHSD17B1RECQL
SCHEMBL7830892 0.86 HSD11B1 (0.69) HSD11B1MAPTLMNAHSD17B1RECQL
SCHEMBL1657830 0.86 HSD11B1 (0.69) HSD11B1MAPTLMNAHSD17B1RECQL
SCHEMBL8089481 0.85 HSD11B1 (0.52) HSD11B1MAPTLMNAHSD17B1RECQL
SCHEMBL9644320 0.84 HSD11B1 (0.66) HSD11B1MAPTLMNAHSD17B1RECQL
SCHEMBL8089518 0.84 HSD11B1 (0.51) HSD11B1MAPTLMNAHSD17B1RECQL
SCHEMBL1659333 0.83 HSD11B1 (0.59) HSD11B1MAPTLMNAHSD17B1RECQL
SCHEMBL1657464 0.83 HSD11B1 (0.59) HSD11B1MAPTLMNAHSD17B1RECQL
SCHEMBL5986176 0.82 HSD11B1 (0.72) HSD11B1MAPTLMNAHSD17B1RECQL

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0815120-B1 17-DIFLUOROMETHYLENE-OESTRATRIENES SCHERING AG (DE) 2001-02-14 EP disclosed
US-6136800-A STEROIDS SCHERING AKTIENGESELLSCHAFT (DE) 2000-10-24 US disclosed
US-6018062-A SUCH AS 17-DIFLUOROMETHYLENE-ESTRA-1,3,5(10)-TRIEN-3-OL; USE AS ANTIOXIDANTS AND VASCULOPROTECTIVE AGENTS AS THEY CAUSE VASODILATOR NITROGEN OXIDE RELEASE AND PREVENT OXIDATION OF LDL CHOLESTEROL SCHERING AKTIENGESELLSCHAFT (DE) 2000-01-25 US disclosed
EP-0815120-A1 17-DIFLUOROMETHYLENE-OESTRATRIENES SCHERING AKTIENGESELLSCHAFT (DE) 1998-01-07 EP disclosed
WO-1996028462-A1 17-DIFLUOROMETHYLENE-OESTRATRIENES SCHERING AKTIENGESELLSCHAFT (DE) 1996-09-19 WO disclosed