SCHEMBL7589438

SCHEMBL7589438

COCOc1ccc(C2COc3cc(OCOC)ccc3C2(O)c2cccc(O)c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.37
ESR1 P03372 3/20 0.34
ESR2 Q92731 3/20 0.34
CYP19A1 P11511 4/20 0.33
KCNH2 Q12809 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
OPRD1 P41143 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
OPRK1 P41145 1/20 0.32
PPARG P37231 2/20 0.32
PPARD Q03181 2/20 0.32
ALOX15 P16050 2/20 0.32
ALOX12 P18054 2/20 0.32
ROR1 Q01973 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
SCHEMBL8521150 0.92 PTPN1 (0.34) PTPN1CYP19A1KCNH2TRPV1OPRD1
SCHEMBL5856395 0.89 PTPN1 (0.37) PTPN1ESR1ESR2CYP19A1KCNH2
SCHEMBL7585298 0.85 PPARG (0.36) PTPN1KDM4EMEN1MAPTKMT2A
SCHEMBL8520642 0.81 PTPN1 (0.34) PTPN1ESR1ESR2KCNH2TRPV1
SCHEMBL7587802 0.81 PPARG (0.33) PTPN1CYP19A1KCNH2TRPV1PPARG
SCHEMBL7589364 0.80 PPARG (0.33) PTPN1KCNH2TRPV1PPARGPPARD
SCHEMBL5856143 0.79 PPARG (0.32) PTPN1PPARGPPARD
SCHEMBL5854628 0.79 PPARG (0.32) PTPN1PPARGPPARD
SCHEMBL2570756 0.79 MEN1 (0.47) CYP19A1KDM4EMEN1MAPTKMT2A
SCHEMBL2569699 0.79 ESR1 (0.41) ESR1ESR2CYP19A1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1120162-C Novel benzopyran derivatives CHUGAI PHARMACEUTICAL CO LTD (JP) 2003-09-03 CN disclosed
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
CN-1244863-A Novel benzopyran derivatives C & C RESEARCH LAB (KR) 2000-02-16 CN disclosed
EP-0944613-A1 NOVEL BENZOPYRAN DERIVATIVES C & C Research Laboratories (KR) 1999-09-29 EP disclosed
WO-1998025916-A1 NOVEL BENZOPYRAN DERIVATIVES C & C RESEARCH LABORATORIES (KR) 1998-06-18 WO disclosed