SCHEMBL6860703

SCHEMBL6860703

CCCCN(C)C(=O)CCCCCCCCCC[C@H]1C[C@]2(C)[C@@H](O)CC[C@H]2[C@@H]2CCc3cc(OC)ccc3[C@@H]12

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 11/20 0.54
ESR2 Q92731 9/20 0.54
LMNA P02545 1/20 0.50
HSD17B10 Q99714 1/20 0.50
HSD17B1 P14061 1/20 0.47
AR P10275 6/20 0.45
RECQL P46063 1/20 0.45
BLM P54132 1/20 0.45

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
SCHEMBL9519936 0.85 ESR1 (0.59) ESR1ESR2LMNAHSD17B10AR
SCHEMBL9519856 0.84 MAPT (0.55) ESR1ESR2LMNAHSD17B1AR
SCHEMBL9517557 0.83 ESR1 (0.68) ESR1ESR2LMNAHSD17B10HSD17B1
SCHEMBL6859059 0.81 ESR1 (0.68) ESR1ESR2LMNAHSD17B10AR
SCHEMBL6462853 0.81 LMNA (0.62) ESR1ESR2LMNAHSD17B10AR
SCHEMBL9517523 0.81 ESR1 (0.73) ESR1ESR2LMNAHSD17B10HSD17B1
SCHEMBL6852292 0.79 ESR1 (0.68) ESR1ESR2LMNAHSD17B10AR
SCHEMBL9519844 0.79 ESR1 (0.68) ESR1ESR2LMNAHSD17B10AR
SCHEMBL9516009 0.79 ESR1 (0.68) ESR1ESR2LMNAHSD17B10AR
SCHEMBL6857433 0.79 ESR1 (0.68) ESR1ESR2LMNAHSD17B10AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6790971-B1 AMIDE OR CARBAMATE FUNCTION AT 11 BETA-POSITION; CLAIMED 3-ONE-DIENE INTERMEDIATE HAS HYDROXYMETHYLALKYL GROUP ON 11 POSITION; ANTIPROGESTOMIMETIC; HORMONE-DEPENDENT TUMORS; ANIMAL HUSBANDRY AVENTIS PHARMA S.A. (FR) 2004-09-14 US disclosed
US-5707982-A ANTITUMOR ROUSSEL UCLAF (FR) 1998-01-13 US disclosed
US-5290771-A 19-nor-steroids ROUSSEL UCLAF (FR) 1994-03-01 US disclosed
US-5149696-A Antiestrogens ROUSSEL UCLAF (FR) 1992-09-22 US disclosed