SCHEMBL5331450

SCHEMBL5331450

C[C@]12CC=C3c4ccc(O)cc4CC[C@H]3[C@@H]1CCC2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 4/20 0.52
HSD17B1 P14061 3/20 0.41
ESR1 P03372 9/20 0.40
ESR2 Q92731 7/20 0.40
HSD17B10 Q99714 4/20 0.40
LMNA P02545 4/20 0.40
STS P08842 4/20 0.40
PGR P06401 3/20 0.40
SERPINA6 P08185 3/20 0.40
AR P10275 3/20 0.40
SLC6A4 P31645 3/20 0.40
SNCA P37840 3/20 0.40
SLC6A3 Q01959 3/20 0.40
HIF1A Q16665 3/20 0.40
AKR1B10 O60218 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
MAPT P10636 2/20 0.40
AKR1B1 P15121 2/20 0.40
HTR2B P41595 2/20 0.40

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
SCHEMBL11671492 0.83 LMNA (0.42) HSD17B1ESR1HSD17B10LMNASTS
SCHEMBL978478 0.82 SHBG (0.36) SHBGSTSHTR2BNR3C1ALDH1A1
SCHEMBL5680078 0.81 ESR1 (0.38) SHBGHSD17B1ESR1ESR2HSD17B10
SCHEMBL6272318 0.79 HSD17B1 (0.44) SHBGHSD17B1ESR1HSD17B10LMNA
SCHEMBL13714924 0.78 ESR1 (0.51) SHBGESR1ESR2HSD17B10LMNA
SCHEMBL8038320 0.78 ESR1 (0.51) SHBGESR1ESR2HSD17B10LMNA
SCHEMBL13846258 0.78 ESR1 (0.40) SHBGHSD17B1ESR1ESR2HSD17B10
SCHEMBL8376449 0.78 CYP19A1 (0.54) SHBGHSD17B1ESR1ESR2HSD17B10
SCHEMBL14496016 0.78 CYP19A1 (0.54) SHBGHSD17B1ESR1ESR2HSD17B10
SCHEMBL8081749 0.78 CYP19A1 (0.54) SHBGHSD17B1ESR1ESR2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007069039-A3 A PROCESS FOR CONVERTING 17 SUBSTITUTED ANDROSTA-1,4,9(11)-TRIENE-3-ONES TO 17 SUBSTITUTED 3-HYDROXYESTRA-1,3,5(10),9(11)-TETRAENES PFIZER PROD INC (US) 2007-10-04 WO disclosed
WO-2007069039-A3 A PROCESS FOR CONVERTING 17 SUBSTITUTED ANDROSTA-1,4,9(11)-TRIENE-3-ONES TO 17 SUBSTITUTED 3-HYDROXYESTRA-1,3,5(10),9(11)-TETRAENES PFIZER PROD INC (US) 2007-10-04 WO disclosed
WO-2007069039-A2 A PROCESS FOR CONVERTING 17 SUBSTITUTED ANDROSTA-1,4,9(11)-TRIENE-3-ONES TO 17 SUBSTITUTED 3-HYDROXYESTRA-1,3,5(10),9(11)-TETRAENES PFIZER PRODUCTS INC. (US) 2007-06-21 WO disclosed
WO-2007069039-A2 A PROCESS FOR CONVERTING 17 SUBSTITUTED ANDROSTA-1,4,9(11)-TRIENE-3-ONES TO 17 SUBSTITUTED 3-HYDROXYESTRA-1,3,5(10),9(11)-TETRAENES PFIZER PRODUCTS INC. (US) 2007-06-21 WO disclosed
EP-0375347-A1 Sulphonic acid substituted aromatic steroids as inhibitors of steroid 5-alpha-reductase SMITHKLINE BEECHAM CORPORATION (US) 1990-06-27 EP disclosed
EP-0375344-A1 Phosphinic acid substituted aromatic steroids as inhibitors of steroid 5alpha-reductase SMITHKLINE BEECHAM CORPORATION (US) 1990-06-27 EP disclosed
EP-0375345-A1 Phosphonic acid substituted aromatic steroids as inhibitors of steroid 5alpha-reductase SMITHKLINE BEECHAM CORPORATION (US) 1990-06-27 EP disclosed