SCHEMBL6898885

SCHEMBL6898885

CN(C)CCCCCCCCCCOc1ccc(C2c3ccc(OCc4ccccc4)cc3OCC2c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.53
ESR2 Q92731 5/20 0.53
HTR2B P41595 1/20 0.42
TMEM97 Q5BJF2 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
PPARG P37231 3/20 0.41
PPARD Q03181 3/20 0.41
MCHR1 Q99705 1/20 0.41
FFAR1 O14842 2/20 0.40
PPARA Q07869 1/20 0.39
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
MAOB P27338 2/20 0.39
MAOA P21397 1/20 0.39

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
SCHEMBL7056046 0.90 ESR1 (0.51) ESR1ESR2HTR2BTMEM97SIGMAR1
SCHEMBL7021971 0.88 ESR1 (0.68) ESR1ESR2HTR2BPPARG
SCHEMBL8341513 0.88 ESR1 (0.68) ESR1ESR2HTR2BPPARG
SCHEMBL8341516 0.88 ESR1 (0.68) ESR1ESR2HTR2BPPARG
SCHEMBL7021976 0.88 ESR1 (0.68) ESR1ESR2HTR2BPPARG
SCHEMBL7021975 0.88 ESR1 (0.68) ESR1ESR2HTR2BPPARG
SCHEMBL8501328 0.88 ESR1 (0.68) ESR1ESR2HTR2BPPARG
SCHEMBL6900049 0.88 ESR1 (0.55) ESR1ESR2HTR2BTMEM97SIGMAR1
SCHEMBL6901973 0.88 ESR1 (0.55) ESR1ESR2HTR2BTMEM97SIGMAR1
SCHEMBL6895259 0.88 ESR1 (0.57) ESR1ESR2HTR2BTMEM97SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1465619-A1 SUPPRESSION OF CARTILAGE DEGRADATION VIA THE ESTROGEN RECEPTOR Nordic Bioscience A/S (DK) 2004-10-13 EP disclosed
WO-2003063859-A1 SUPPRESSION OF CARTILAGE DEGRADATION VIA THE ESTROGEN RECEPTOR NORDIC BIOSCIENCE A/S (DK) 2003-08-07 WO disclosed
US-6043269-A ESTROGEN AGONISTS NOVO NORDISK A/S (DK) 2000-03-28 US disclosed
EP-0937058-A1 NOVEL $i(CIS)-3,4-CHROMAN DERIVATIVES USEFUL IN THE PREVENTION OR TREATMENT OF ESTROGEN RELATED DISEASES OR SYNDROMES NOVO NORDISK A/S (DK) 1999-08-25 EP disclosed
WO-1998018773-A1 NOVEL CIS-3,4-CHROMAN DERIVATIVES USEFUL IN THE PREVENTION OR TREATMENT OF ESTROGEN RELATED DISEASES OR SYNDROMES NOVO NORDISK A/S (DK) 1998-05-07 WO disclosed