SCHEMBL11007639

SCHEMBL11007639

COc1c(C(C)(C)c2cc(C)c(O)c(C)c2OC)cc(C)c(O)c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 3/20 0.38
▸ CA1 P00915 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ ADRA2A P08913 1/20 0.36
▸ ADRA2C P18825 1/20 0.36
▸ ADRA1D P25100 1/20 0.36
▸ ADRA1A P35348 1/20 0.36
▸ ADRA1B P35368 1/20 0.36
▸ ALOX5 P09917 3/20 0.36
▸ PTGS1 P23219 3/20 0.36
▸ PTGS2 P35354 3/20 0.36
▸ TDP1 Q9NUW8 2/20 0.34
▸ EPHX2 P34913 3/20 0.34
▸ CYP3A4 P08684 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ TYR P14679 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL12339828 0.81 CA2 (0.36) CA2CA1CYP1A2CYP2C9CYP2C19
SCHEMBL1176930 0.77 CYP1A2 (0.45) CA2CA1CYP1A2CYP2C9CYP2C19
SCHEMBL17773091 0.75 TDP1 (0.50) CA2CA1ALOX5TDP1EPHX2
SCHEMBL27507404 0.74 CA2 (0.48) CA2CA1CYP1A2CYP2C9CYP2C19
SCHEMBL19077753 0.74 PTPN1 (0.42) CA2CA1CYP1A2CYP2C9CYP2C19
SCHEMBL1826843 0.72 CYP2C9 (0.41) CA2CA1CYP1A2CYP2C9CYP2C19
SCHEMBL13435350 0.72 ALOX15 (0.43) CA2CA1CYP1A2CYP2C9CYP2C19
SCHEMBL1052797 0.71 TDP1 (0.39) ALOX5PTGS2TDP1CYP3A4ALDH1A1
SCHEMBL16997139 0.69 ADRA2A (0.49) CA2CA1CYP1A2CYP2C9CYP2C19
SCHEMBL9757757 0.69 TDP1 (0.43) CA2CA1ALOX5PTGS2TDP1

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-0135792-A2 Copolyester-carbonate compositions exhibiting improved processability GENERAL ELECTRIC COMPANY (US) 1985-04-03 — — EP disclosed
US-4487896-A Copolyester-carbonate compositions exhibiting improved processability GENERAL ELECTRIC COMPANY (US) 1984-12-11 — — US disclosed
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