SCHEMBL8667705

SCHEMBL8667705

C[C@]12CC[C@@]3(O)c4ccc(O)cc4CC[C@@H]3[C@@H]1CC[C@@H]2O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 9/20 0.71
ESR2 Q92731 8/20 0.71
LMNA P02545 4/20 0.55
HSD17B10 Q99714 3/20 0.55
TSHR P16473 2/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
MAPT P10636 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
SHBG P04278 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
HIF1A Q16665 1/20 0.55
SLC22A1 O15245 1/20 0.55
AKR1B10 O60218 1/20 0.55
SLC22A3 O75751 1/20 0.55
ABCB11 O95342 1/20 0.55
ESRRB O95718 1/20 0.55
ALDH1A1 P00352 1/20 0.55

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
SCHEMBL8038305 1.00 ESR1 (0.71) ESR1ESR2LMNAHSD17B10TSHR
SCHEMBL8038391 1.00 ESR1 (0.71) ESR1ESR2LMNAHSD17B10TSHR
SCHEMBL19236350 1.00 ESR1 (0.71) ESR1ESR2LMNAHSD17B10TSHR
SCHEMBL8048890 0.84 LMNA (0.56) ESR1ESR2LMNAHSD17B10TSHR
SCHEMBL8048425 0.84 LMNA (0.56) ESR1ESR2LMNAHSD17B10TSHR
SCHEMBL24051967 0.84 ESR1 (0.67) ESR1ESR2LMNAHSD17B10TSHR
SCHEMBL8038117 0.83 ESR1 (0.50) ESR1ESR2LMNAHSD17B10TSHR
SCHEMBL1688726 0.81 ESR1 (0.59) ESR1ESR2LMNAHSD17B10KMT2A
SCHEMBL1688725 0.78 ESR1 (0.71) ESR1ESR2LMNAHSD17B10MAPT
Estradiol SCHEMBL18258335 0.71 ESR1 (1.00) ESR1ESR2LMNAHSD17B10TSHR

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
EP-0882735-A1 9 Alpha-hydroxy-8 alpha-estra-1,3,5(10)-trienes and a process for their preparation Jenapharm GmbH & Co. KG (DE) 1998-12-09 EP disclosed