SCHEMBL14035533

SCHEMBL14035533

COc1cc(C(c2cc(C)c(O)c(C)c2)c2cc(C)c(O)c(C)c2)cc(OC)c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA12 O43570 1/20 0.42
CA3 P07451 1/20 0.42
PKM P14618 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 1/20 0.41
ALOX5 P09917 2/20 0.40
PTGS2 P35354 2/20 0.40
PTGS1 P23219 1/20 0.40
EGFR P00533 1/20 0.40

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
SCHEMBL20564940 0.89 PKM (0.50) CA1CA2CA12CA3PKM
SCHEMBL1597087 0.89 EGFR (0.41) PKMGAAMAPTALOX5PTGS2
SCHEMBL14008507 0.85 SHBG (0.41) GAAMAPTALOX5PTGS2PTGS1
SCHEMBL29695982 0.84 TSHR (0.53) GAAKMT2ACYP3A4
SCHEMBL2203108 0.84 TSHR (0.53) GAAKMT2ACYP3A4
SCHEMBL1596479 0.83 TSHR (0.46) CA1CA2CA12CA3PKM
SCHEMBL673321 0.82 CA1 (0.55) CA1CA2LMNAGAAMAPT
SCHEMBL16362241 0.82 TUBB4A (0.47) CA1CA2CA12CA3PKM
SCHEMBL20808568 0.82 ALOX5 (0.39) CA1CA2GAAMAPTALOX5
SCHEMBL30343450 0.82 ERN1 (0.47) CA1CA2CA12CA3PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7455948-B2 Photosensitive resin composition TORAY INDUSTRIES, INC. (JP) 2008-11-25 US disclosed