SCHEMBL14510698

SCHEMBL14510698

C=COc1cccc(CC)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
SOD1 P00441 1/20 0.43
MAPK1 P28482 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP1A2 P05177 1/20 0.39
CYP2A6 P11509 1/20 0.39
TP53 P04637 1/20 0.38
TAAR1 Q96RJ0 3/20 0.38
IDO1 P14902 2/20 0.38
AGXT P21549 2/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.37

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
SCHEMBL11044477 0.82 KDM4E (0.45) KDM4EALDH1A1SMN1; SMN2SOD1MAPK1
SCHEMBL2093441 0.81 SOD1 (0.46) KDM4EALDH1A1SMN1; SMN2SOD1MAPK1
SCHEMBL13705988 0.79 CYP1A2 (0.52) KDM4EALDH1A1SMN1; SMN2TSHRCYP1A2
SCHEMBL4252848 0.79 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2TSHRTDP1CYP1A2
SCHEMBL20482022 0.78 KDM4E (0.49) KDM4EALDH1A1SMN1; SMN2SOD1MAPK1
SCHEMBL27669395 0.78 KDM4E (0.47) KDM4EALDH1A1SMN1; SMN2SOD1MAPK1
SCHEMBL9488681 0.77 ALDH1A1 (0.50) KDM4EALDH1A1SMN1; SMN2SOD1MAPK1
SCHEMBL30358275 0.77 ALDH1A1 (0.50) KDM4EALDH1A1SMN1; SMN2SOD1MAPK1
SCHEMBL6468903 0.76 ALDH1A1 (0.58) KDM4EALDH1A1SMN1; SMN2SOD1MAPK1
SCHEMBL3391112 0.75 SMN1; SMN2 (0.43) ALDH1A1SMN1; SMN2SOD1L3MBTL1TSHR

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-20070101898-A1 Inkjet ink AKIYAMA RYOZO 2007-05-10 US disclosed