SCHEMBL8778685

SCHEMBL8778685

C=C1C[C@H](O)[C@@]2(C)CCC3c4ccc(C5(C(=O)O)CCCC5)cc4CCC3[C@@H]12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.44
ESR2 Q92731 4/20 0.44
LMNA P02545 4/20 0.44
HSD17B10 Q99714 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
TSHR P16473 2/20 0.44
PGR P06401 2/20 0.44
AR P10275 2/20 0.44
SLC6A3 Q01959 2/20 0.44
STS P08842 2/20 0.44
KMT2A Q03164 2/20 0.44
NR3C1 P04150 2/20 0.44
SHBG P04278 2/20 0.44
SLC6A4 P31645 2/20 0.44
HTR2B P41595 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HIF1A Q16665 1/20 0.44
MEN1 O00255 1/20 0.44

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
SCHEMBL8778721 0.99 LTB4R (0.44) ESR1ESR2LMNAHSD17B10SMN1; SMN2
SCHEMBL5675177 0.82 ESR1 (0.64) ESR1ESR2LMNAHSD17B10SMN1; SMN2
SCHEMBL7147482 0.82 ESR1 (0.64) ESR1ESR2LMNAHSD17B10SMN1; SMN2
SCHEMBL8623796 0.78 LMNA (0.67) ESR1ESR2LMNAHSD17B10SMN1; SMN2
SCHEMBL8778691 0.77 ESR1 (0.44) ESR1ESR2LMNAHSD17B10SMN1; SMN2
SCHEMBL8778770 0.77 STS (0.49) ESR1ESR2LMNAHSD17B10SMN1; SMN2
SCHEMBL6871662 0.76 STS (0.69) ESR1ESR2LMNAHSD17B10STS
SCHEMBL7097126 0.76 ABCC1 (0.48) ESR1ESR2LMNAHSD17B10SMN1; SMN2
SCHEMBL6636478 0.76 ABCC1 (0.48) ESR1ESR2LMNAHSD17B10SMN1; SMN2
SCHEMBL7100301 0.76 ABCC1 (0.47) ESR1ESR2LMNAHSD17B10SMN1; SMN2

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-0707593-B1 ORALLY ADMINISTERABLE ESTERS OF 14 ALPHA,15 ALPHA-METHYLENE-OESTRADIOL WITH AN OESTROGENIC ACTION JENAPHARM GMBH (DE) 1997-12-29 EP disclosed