SCHEMBL8729134

SCHEMBL8729134

COc1cccc(C(c2ccccc2)(c2ccccc2)C(C)O)c1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 3/20 0.41
USP2 O75604 1/20 0.39
KMT2A Q03164 2/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
MEN1 O00255 1/20 0.38
ATM Q13315 1/20 0.38
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA12 O43570 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CA14 Q9ULX7 2/20 0.38
CA4 P22748 1/20 0.38
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HPGD P15428 1/20 0.36
HTT P42858 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
SCHEMBL8457737 0.85 KMT2A (0.42) NFE2L2USP2KMT2AMEN1ATM
SCHEMBL9261650 0.83 TAS1R3 (0.36) NFE2L2KMT2APDE4DMEN1ALDH1A1
SCHEMBL9068005 0.83 L3MBTL1 (0.37) NFE2L2KMT2AMEN1ATMALDH1A1
SCHEMBL9453918 0.83 AGTR1 (0.39) NFE2L2KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL17894183 0.81 SMN1; SMN2 (0.40) NFE2L2USP2KMT2AMEN1ATM
SCHEMBL17894153 0.81 SMN1; SMN2 (0.40) NFE2L2USP2KMT2AMEN1ATM
SCHEMBL9559238 0.81 NFE2L2 (0.34) NFE2L2KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL15517408 0.81 AGTR1 (0.38) NFE2L2KMT2AMEN1SMN1; SMN2HTT
SCHEMBL20675 0.80 CYP19A1 (0.45) NFE2L2KMT2AMEN1CA1CA2
SCHEMBL28799825 0.80 ALDH1A1 (0.38) NFE2L2USP2KMT2AMEN1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0865439-A4 COMBINATORIAL LIBRARIES HAVING AMINODIOL MONOMER SUBUNITS ISIS PHARMACEUTICALS INC (US) 1998-11-11 EP disclosed
EP-0865439-A1 COMBINATORIAL LIBRARIES HAVING AMINODIOL MONOMER SUBUNITS ISIS PHARMACEUTICALS, INC. (US) 1998-09-23 EP disclosed
WO-1996040672-A1 COMBINATORIAL LIBRARIES HAVING AMINODIOL MONOMER SUBUNITS ISIS PHARMACEUTICALS, INC. (US) 1996-12-19 WO disclosed