SCHEMBL8539487

SCHEMBL8539487

CN(C)c1ccc(C2CC3=C(CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H](O)CC[C@@H]43)CC2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 4/20 0.42
▸ LMNA P02545 3/20 0.42
▸ HSD17B10 Q99714 3/20 0.42
▸ ESR2 Q92731 3/20 0.42
▸ TSHR P16473 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ G6PD P11413 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ MPI P34949 1/20 0.42
▸ SLC22A1 O15245 1/20 0.42
▸ AKR1B10 O60218 1/20 0.42

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
SCHEMBL9644106 0.78 NR3C1 (0.54) ESR1LMNAESR2TSHRMEN1
SCHEMBL1766250 0.76 ESR1 (0.43) ESR1LMNAHSD17B10ESR2TSHR
SCHEMBL3985314 0.76 ESR1 (0.43) ESR1LMNAHSD17B10ESR2TSHR
SCHEMBL9644894 0.74 SHBG (0.49) ESR1ESR2SLC22A1ALDH1A1NR3C1
SCHEMBL19042784 0.74 ESR1 (0.43) ESR1LMNATSHRMAPTCYP1A2
SCHEMBL9019816 0.74 ESR1 (0.43) ESR1LMNATSHRMAPTCYP1A2
SCHEMBL19032703 0.74 ESR1 (0.43) ESR1LMNATSHRMAPTCYP1A2
SCHEMBL3451745 0.73 ESR1 (0.58) ESR1LMNAHSD17B10ESR2TSHR
SCHEMBL9558275 0.73 ESR1 (0.58) ESR1LMNAHSD17B10ESR2TSHR
SCHEMBL8536270 0.73 SERPINA6 (0.57) ESR1LMNAHSD17B10ESR2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5843933-A 11β-aryl-4-estrenes, process for their production as well as their use as pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 1998-12-01 — — US disclosed
US-5728689-A ANTIGESTAGENIC EFFECT SCHERING AKTIENGESELLSCHAFT (DE) 1998-03-17 — — US disclosed
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