SCHEMBL8520514

SCHEMBL8520514

COc1ccccc1C(=O)C1C=CC(OC)(OC)C=C1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.40
CTSD P07339 1/20 0.39
HTT P42858 3/20 0.39
FAAH O00519 1/20 0.38
CNR2 P34972 1/20 0.38
STAT3 P40763 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 2/20 0.37
ABCG2 Q9UNQ0 1/20 0.37
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL337246 0.86 LMNA (0.41) PIN1HTTCA12CA1CA2
SCHEMBL3120601 0.81 TSHR (0.36) HTTKMT2AALDH1A1MEN1TP53
SCHEMBL6658452 0.72 LMNA (0.41) PIN1HTTCA12CA1CA2
SCHEMBL344146 0.70 HTT (0.38) HTTKMT2AALDH1A1MEN1GAA
SCHEMBL29215726 0.68 CNR2 (0.40) PIN1CTSDHTTFAAHCNR2
SCHEMBL15477919 0.67 CNR2 (0.41) PIN1CTSDHTTFAAHCNR2
SCHEMBL424984 0.66 KDM4E (0.39) PIN1HTTCA12CA1CA2
SCHEMBL4609870 0.66 PIN1 (0.59) PIN1CTSDHTTCHRM2CHRM4
SCHEMBL9338227 0.65 ALDH1A1 (0.41) PIN1HTTCA12CA1CA2
SCHEMBL9732807 0.65 TSHR (0.34) HTTKMT2AALDH1A1L3MBTL1MEN1

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
EP-0953595-A1 UV light stabilized polyester molding composition HOECHST CELANESE CORPORATION (US) 1999-11-03 EP disclosed