SCHEMBL6898886

SCHEMBL6898886

CCCCCCCCCC(Oc1ccc(C2c3ccc(OCc4ccccc4)cc3OCC2c2ccccc2)cc1)N(C)C

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.43
ESR2 Q92731 5/20 0.43
FFAR1 O14842 4/20 0.37
CTRC Q99895 1/20 0.37
HTR2B P41595 1/20 0.37
TMEM97 Q5BJF2 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
CA2 P00918 1/20 0.36
CA5A P35218 1/20 0.36
MAOB P27338 3/20 0.36
MAOA P21397 2/20 0.36
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35

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
SCHEMBL7954544 0.88 ESR1 (0.44) ESR1ESR2FFAR1CTRCHTR2B
SCHEMBL6895273 0.83 ESR1 (0.44) ESR1ESR2FFAR1CTRCHTR2B
SCHEMBL6901793 0.82 ESR1 (0.44) ESR1ESR2FFAR1HTR2BTMEM97
SCHEMBL7056046 0.81 ESR1 (0.51) ESR1ESR2FFAR1HTR2BTMEM97
SCHEMBL6901001 0.80 ESR1 (0.51) ESR1ESR2FFAR1HTR2BTMEM97
SCHEMBL6898885 0.79 ESR1 (0.53) ESR1ESR2FFAR1HTR2BTMEM97
SCHEMBL6895957 0.78 ESR1 (0.62) ESR1ESR2FFAR1HTR2BTMEM97
SCHEMBL6899567 0.78 ESR1 (0.46) ESR1ESR2FFAR1HTR2BTMEM97
SCHEMBL6901788 0.78 ESR1 (0.51) ESR1ESR2FFAR1HTR2BTMEM97
SCHEMBL6900049 0.76 ESR1 (0.55) ESR1ESR2FFAR1HTR2BTMEM97

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