SCHEMBL5138430

SCHEMBL5138430

CCOC(=O)C1=C(c2ccccc2)c2ccccc2C1(C)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.48
MAPT P10636 6/20 0.48
KDM4E B2RXH2 4/20 0.48
TDP2 O95551 3/20 0.48
LMNA P02545 3/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
CYP1A2 P05177 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
ATM Q13315 1/20 0.48
APAF1 O14727 1/20 0.48
NSD2 O96028 1/20 0.48
ABL1 P00519 1/20 0.48
GALK1 P51570 1/20 0.48
BLM P54132 1/20 0.48
PPP1CA P62136 1/20 0.48
RIN1 Q13671 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48

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
SCHEMBL3575672 0.84 PPARG (0.57) ALDH1A1MAPTKDM4ELMNAMEN1
SCHEMBL4657622 0.81 PPARG (0.54) ALDH1A1MAPTKDM4ELMNAMEN1
SCHEMBL4659886 0.76 PPARG (0.76) ALDH1A1MAPTKDM4ELMNAMEN1
SCHEMBL8622696 0.74 SCN9A (0.44) ALDH1A1KDM4ESMN1; SMN2GLACTDSP1
SCHEMBL5139986 0.73 THRB (0.41) ALDH1A1MAPTHPGDNPSR1PDK2
SCHEMBL3572833 0.73 PPARG (0.55) ALDH1A1MAPTKDM4ELMNAMEN1
SCHEMBL3583680 0.72 PPARG (0.54) ALDH1A1MAPTKDM4ELMNAMEN1
SCHEMBL13996175 0.71 ADORA3 (0.49) ALDH1A1MAPTKDM4ELMNAMEN1
SCHEMBL18803865 0.71 ALDH1A1 (0.59) ALDH1A1MAPTKDM4ELMNAMEN1
SCHEMBL18663359 0.71 ALDH1A1 (0.43) ALDH1A1MAPTKDM4ELMNAMEN1

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
WO-2008037604-A1 NOVEL POLYBENZOFULVENE DERIVATIVES, SYNTHESIS AND USES THEREOF UNIVERSITÀ DEGLI STUDI DI SIENA (IT) 2008-04-03 WO disclosed