SCHEMBL30634841

SCHEMBL30634841

O=C(O)COc1ccc2cc(-c3ccccc3)ccc2c1-c1c(OCC(=O)O)ccc2cc(-c3ccccc3)ccc12

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 6/20 0.52
PPARG P37231 3/20 0.52
PPARA Q07869 2/20 0.52
ACLY P53396 2/20 0.49
PTGDR2 Q9Y5Y4 6/20 0.49
PTPN7 P35236 1/20 0.49
ESR1 P03372 1/20 0.48
ESR2 Q92731 1/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
FFAR1 O14842 2/20 0.47
PTPN1 P18031 1/20 0.47
GPR84 Q9NQS5 1/20 0.47
ACACA Q13085 1/20 0.46

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
SCHEMBL20774095 1.00 PPARD (0.52) PPARDPPARGPPARAACLYPTGDR2
SCHEMBL29506873 1.00 PPARD (0.52) PPARDPPARGPPARAACLYPTGDR2
SCHEMBL26983399 0.90 PPARG (0.53) PPARDPPARGPPARAACLYPTGDR2
SCHEMBL20774060 0.88 PTPN7 (0.52) PPARDPPARGPPARAPTGDR2PTPN7
SCHEMBL26582597 0.87 MAPT (0.62) PPARDPPARGPPARAACLYESR1
SCHEMBL26582598 0.85 MAPT (0.45) PPARDPPARGPPARAACLYPTGDR2
SCHEMBL20774332 0.84 ESR1 (0.50) PPARDPPARGPPARAESR1KDM4E
SCHEMBL21858484 0.84 ESR1 (0.51) ESR1ESR2GPR84
SCHEMBL20773850 0.82 KDM4E (0.46) PPARDPPARGPPARAPTGDR2PTPN7
SCHEMBL20773861 0.82 KDM4E (0.52) PTGDR2PTPN7KDM4EALDH1A1HPGD

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
CN-111094223-B binaphthyl compounds 罗伊特化学仪器制造公司 2023-10-27 CN claimed
CN-111094223-B binaphthyl compounds 罗伊特化学仪器制造公司 2023-10-27 CN disclosed