SCHEMBL6901788

SCHEMBL6901788

CCCCNCCOc1ccc(C2c3ccc(OCc4ccccc4)cc3OCC2c2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.51
ESR2 Q92731 5/20 0.51
PPARG P37231 3/20 0.42
PPARD Q03181 3/20 0.42
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
FFAR1 O14842 4/20 0.41
PPARA Q07869 1/20 0.40
DRD2 P14416 3/20 0.40
DRD4 P21917 3/20 0.40
DRD3 P35462 2/20 0.39
HTR2B P41595 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 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
SCHEMBL6901001 0.86 ESR1 (0.51) ESR1ESR2PPARGPPARDFFAR1
SCHEMBL7056046 0.85 ESR1 (0.51) ESR1ESR2PPARGPPARDFFAR1
SCHEMBL6901793 0.84 ESR1 (0.44) ESR1ESR2FFAR1DRD2DRD3
SCHEMBL6895259 0.84 ESR1 (0.57) ESR1ESR2PPARGPPARDNPC1
SCHEMBL6902084 0.84 ESR1 (0.59) ESR1ESR2PPARGPPARDNPC1
SCHEMBL6900049 0.83 ESR1 (0.55) ESR1ESR2PPARGPPARDNPC1
SCHEMBL6901973 0.83 ESR1 (0.55) ESR1ESR2PPARGPPARDNPC1
SCHEMBL6898885 0.82 ESR1 (0.53) ESR1ESR2PPARGPPARDFFAR1
SCHEMBL6895957 0.81 ESR1 (0.62) ESR1ESR2NPC1LMNAFFAR1
SCHEMBL6900125 0.80 ESR1 (0.69) ESR1ESR2PPARGDRD2DRD3

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