SCHEMBL7587802

SCHEMBL7587802

COCOc1ccc(C2COc3cc(OCOC)ccc3C2(O)c2ccc(OCCCCCCl)cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.33
PPARD Q03181 7/20 0.33
FFAR1 O14842 5/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
PTPN1 P18031 1/20 0.31
PPARA Q07869 1/20 0.31
ROR1 Q01973 1/20 0.31
KCNH2 Q12809 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
CYP19A1 P11511 1/20 0.30

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
SCHEMBL7585298 0.93 PPARG (0.36) PPARGPPARDFFAR1THRATHRB
SCHEMBL7589364 0.92 PPARG (0.33) PPARGPPARDFFAR1THRATHRB
SCHEMBL5854628 0.91 PPARG (0.32) PPARGPPARDFFAR1PTPN1
SCHEMBL5856395 0.87 PTPN1 (0.37) PTPN1ROR1KCNH2TRPV1CYP19A1
SCHEMBL5856143 0.85 PPARG (0.32) PPARGPPARDFFAR1PTPN1
SCHEMBL7589620 0.84 ESR1 (0.31)
SCHEMBL7588458 0.84 ESR1 (0.43) KCNH2
SCHEMBL7589438 0.81 PTPN1 (0.37) PPARGPPARDPTPN1ROR1KCNH2
SCHEMBL8520642 0.80 PTPN1 (0.34) PTPN1KCNH2TRPV1
SCHEMBL7588462 0.79 ESR1 (0.31)

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 4 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