SCHEMBL4437362

SCHEMBL4437362

COc1cc(C(C)(C)C)c(Oc2cc(C(C)(C)C)c(Oc3c(C(C)(C)C)cc(OC)cc3C(C)(C)C)cc2C(C)(C)C)c(C(C)(C)C)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
ALDH1A1 P00352 3/20 0.42
GAA P10253 1/20 0.42
HTR2A P28223 1/20 0.41
TNFRSF1A P19438 1/20 0.36
PTGS2 P35354 1/20 0.35
PTPN1 P18031 1/20 0.34
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CYP1A1 P04798 2/20 0.33
CYP1B1 Q16678 2/20 0.33
CYP1A2 P05177 1/20 0.33
RARA P10276 1/20 0.33
RARB P10826 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
SCHEMBL22360314 0.82 CA1 (0.64) CA1CA2LMNATP53CYP3A4
SCHEMBL15180064 0.79 CA1 (0.55) CA1CA2LMNATP53CYP3A4
SCHEMBL15180056 0.75 CA1 (0.55) CA1CA2LMNATP53CYP3A4
SCHEMBL6672713 0.75 CA1 (0.55) CA1CA2LMNATP53CYP3A4
SCHEMBL1512024 0.75 CA1 (0.55) CA1CA2LMNATP53CYP3A4
SCHEMBL5090250 0.75 CA2 (0.55) CA1CA2LMNATP53CYP3A4
SCHEMBL28499495 0.75 ALDH1A1 (0.58) CA1CA2LMNATP53CYP3A4
SCHEMBL9587049 0.75 CA1 (0.55) CA1CA2LMNATP53CYP3A4
SCHEMBL398164 0.74 CYP3A4 (0.74) CA1CA2LMNATP53CYP3A4
SCHEMBL9587372 0.73 CA1 (0.53) CA1CA2LMNATP53CYP3A4

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-2118188-A1 POLYMER COMPOSITE EASTMAN KODAK COMPANY (US) 2009-11-18 EP disclosed
WO-2008094500-A1 POLYMER COMPOSITE EASTMAN KODAK COMPANY (US) 2008-08-07 WO disclosed