SCHEMBL9856469

SCHEMBL9856469

COCc1ccc(C=Cc2ccc(O)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 7/20 0.54
CYP1A1 P04798 5/20 0.54
MAPT P10636 4/20 0.54
KDM4E B2RXH2 4/20 0.54
PTGS2 P35354 4/20 0.54
CYP1B1 Q16678 4/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
TTR P02766 3/20 0.54
ALOX5 P09917 3/20 0.54
CA12 O43570 3/20 0.54
CA1 P00915 3/20 0.54
CA2 P00918 3/20 0.54
CA7 P43166 3/20 0.54
CA9 Q16790 3/20 0.54
CA14 Q9ULX7 3/20 0.54
CYP1A2 P05177 3/20 0.54
LMNA P02545 3/20 0.54
PTGS1 P23219 3/20 0.54
CA3 P07451 2/20 0.54

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
SCHEMBL9856466 1.00 APP (0.54) APPCYP1A1MAPTKDM4EPTGS2
SCHEMBL30259957 0.91 TUBB1 (0.44) APPCYP1A1MAPTKDM4EPTGS2
SCHEMBL63724 0.87 IDO1 (0.56) APPMAPTKDM4EMEN1KMT2A
SCHEMBL2091403 0.83 TRPA1 (0.55) CYP1A1MAPTKDM4ECYP1B1MEN1
SCHEMBL13378290 0.83 TRPA1 (0.55) CYP1A1MAPTKDM4ECYP1B1MEN1
SCHEMBL14618493 0.81 LMNA (0.54) CYP1A1MAPTKDM4EPTGS2CYP1B1
SCHEMBL26264321 0.80 ESR2 (0.54) PTGS2MEN1KMT2AABL1ABCB1
SCHEMBL14205560 0.79 CYP1A2 (0.46) APPCA2CYP1A2LMNATP53
SCHEMBL9247931 0.78 SMN1; SMN2 (0.35) APPCYP1A1MAPTKDM4EPTGS2
SCHEMBL7135813 0.77 THRB (0.61) KDM4ECA12CA1CA2CA7

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-5019451-A Non-centrosymmetric, multi-layer Langmuir-Blodgett films EDISON POLYMER INNOVATION CORP. (US) 1991-05-28 US disclosed