SCHEMBL6010005

SCHEMBL6010005

C[C@]12CC[C@@H]3c4cc(O)c(O)cc4CC[C@H]3[C@@H]1CCC2O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 1.00
ESR2 Q92731 4/20 1.00
MEN1 O00255 3/20 1.00
LMNA P02545 3/20 1.00
KMT2A Q03164 3/20 1.00
GAA P10253 2/20 1.00
MAPT P10636 2/20 1.00
KDM4E B2RXH2 1/20 1.00
POLB P06746 1/20 1.00
G6PD P11413 1/20 1.00
PKM P14618 1/20 1.00
MAPK1 P28482 1/20 1.00
RAB9A P51151 1/20 1.00
DAB2IP Q5VWQ8 1/20 1.00
ADCY10 Q96PN6 1/20 1.00
TDP1 Q9NUW8 1/20 1.00
CYP19A1 P11511 5/20 0.84
SHBG P04278 2/20 0.82
HSD17B10 Q99714 4/20 0.78
CYP1A2 P05177 3/20 0.78

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
SCHEMBL12027476 1.00 ESR1 (1.00) ESR1ESR2MEN1LMNAKMT2A
SCHEMBL13123058 1.00 ESR1 (1.00) ESR1ESR2MEN1LMNAKMT2A
SCHEMBL29565170 1.00 ESR1 (1.00) ESR1ESR2MEN1LMNAKMT2A
SCHEMBL15491309 1.00 ESR1 (1.00) ESR1ESR2MEN1LMNAKMT2A
SCHEMBL225052 1.00 ESR1 (1.00) ESR1ESR2MEN1LMNAKMT2A
SCHEMBL225053 1.00 ESR1 (1.00) ESR1ESR2MEN1LMNAKMT2A
SCHEMBL4206797 0.91 CYP19A1 (1.00) ESR1ESR2MEN1LMNAKMT2A
SCHEMBL2617357 0.91 CYP19A1 (1.00) ESR1ESR2MEN1LMNAKMT2A
SCHEMBL3868013 0.91 CYP19A1 (1.00) ESR1ESR2MEN1LMNAKMT2A
SCHEMBL5025553 0.91 CYP19A1 (1.00) ESR1ESR2MEN1LMNAKMT2A

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
US-20060083778-A1 Controlled release compositions of estradiol metabolites PR PHARMACEUTICALS INC. 2006-04-20 US disclosed