SCHEMBL9810709

SCHEMBL9810709

Cc1cc2c(c(C)c1O)Cc1c(cc(C)c(O)c1C)C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
ACHE P22303 1/20 0.32
KDM4E B2RXH2 2/20 0.32
LMNA P02545 2/20 0.32
MAPT P10636 2/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
ALOX5 P09917 2/20 0.31
CYP1A2 P05177 2/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
EEF2K O00418 1/20 0.31
SRC P12931 1/20 0.31
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 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
SCHEMBL8922080 0.76 MEN1 (0.43) CA1CA2ACHEKDM4ELMNA
SCHEMBL20675553 0.75 SHBG (0.40) KDM4EALDH1A1
SCHEMBL9810648 0.72 CA1 (0.34) CA1CA2ACHEALDH1A1CYP1A2
SCHEMBL68382 0.68 CA1 (0.56) CA1CA2ACHEKDM4ELMNA
SCHEMBL17135797 0.68 CA1 (0.34) CA1CA2
SCHEMBL14369567 0.66 SRC (0.39) ALOX5CYP1A2PTGS1PTGS2SRC
SCHEMBL6905998 0.65 MAPT (0.45) KDM4EMAPTALDH1A1GAAMEN1
SCHEMBL6130143 0.64 LDHA (0.52) CA1CA2ACHEKDM4ELMNA
SCHEMBL29729030 0.64 CA1 (0.50) CA1CA2ACHEKDM4ELMNA
SCHEMBL394530 0.64 CA1 (0.50) CA1CA2ACHEKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0171272-B1 AROMATIC COPOLYESTERS MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1991-06-05 EP disclosed
US-4731433-A Aromatic copolyester derived from aromatic dicarboxylic acid component and aromatic diol component MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1988-03-15 US disclosed
EP-0171272-A2 Aromatic copolyesters MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1986-02-12 EP disclosed