SCHEMBL7587937

SCHEMBL7587937

COCOc1ccc(C2(C)COc3cc(OCOC)ccc3C2c2cccc(OCCCCCl)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 12/20 0.36
PPARD Q03181 12/20 0.36
FFAR1 O14842 9/20 0.34
HTR2B P41595 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
PTPN1 P18031 1/20 0.33
PPARA Q07869 1/20 0.32
MAOB P27338 2/20 0.32
ESR1 P03372 2/20 0.32
MAOA P21397 1/20 0.32
PGR P06401 1/20 0.32
CHRM2 P08172 1/20 0.32
HTR1A P08908 1/20 0.32
ADRA2A P08913 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
CHRM1 P11229 1/20 0.32
DRD1 P21728 1/20 0.32
TBXA2R P21731 1/20 0.32
PTGS1 P23219 1/20 0.32

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
SCHEMBL8520541 0.96 PPARG (0.33) PPARGPPARDFFAR1HTR2BTMEM97
SCHEMBL7592872 0.92 PPARG (0.35) PPARGPPARDFFAR1HTR2BTMEM97
SCHEMBL5854374 0.89 PTPN1 (0.35) PPARGPPARDFFAR1HTR2BTMEM97
SCHEMBL7585408 0.85 PTPN1 (0.40) PPARGPPARDFFAR1HTR2BTMEM97
SCHEMBL7587424 0.84 ESR1 (0.32) PPARGPPARDESR1PGRCHRM2
SCHEMBL5853930 0.81 PTPN1 (0.41) PPARGPPARDFFAR1HTR2BTMEM97
SCHEMBL5856130 0.80 HRH3 (0.42) MAOBESR1PGRCHRM2HTR1A
SCHEMBL5856132 0.80 ITGB3 (0.38) PPARGPPARDFFAR1HTR2BTMEM97
SCHEMBL8520859 0.79 PPARG (0.30) PPARGPPARDESR1
SCHEMBL5854922 0.77 PTPN1 (0.33) HTR2BTMEM97SIGMAR1PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0944613-B1 BENZOPYRAN DERIVATIVES CHUGAI PHARMACEUTICAL CO LTD (JP) 2002-10-09 EP disclosed
US-6153768-A RECEPTOR BLOCKING ANTIESTROGENS HAVING REDUCED SIDE EFFECTS C & C RESEARCH LABORATORIES (KR) 2000-11-28 US disclosed