SCHEMBL8630613

SCHEMBL8630613

COc1ccc(N(Cc2ccco2)Cc2occc2C)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.48
CNR2 P34972 1/20 0.48
ALDH1A1 P00352 6/20 0.45
LMNA P02545 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 3/20 0.42
TSHR P16473 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPK1 P28482 1/20 0.41
SIRT5 Q9NXA8 1/20 0.41
POLB P06746 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 2/20 0.39
HPGD P15428 1/20 0.39
TAS2R14 Q9NYV8 1/20 0.39

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
SCHEMBL8748519 0.81 CNR1 (0.49) CNR1CNR2ALDH1A1LMNAL3MBTL1
SCHEMBL8630615 0.71 CNR1 (0.45) CNR1CNR2ALDH1A1LMNAL3MBTL1
SCHEMBL9823243 0.68 ALDH1A1 (0.47) CNR1CNR2ALDH1A1LMNAL3MBTL1
SCHEMBL1498696 0.68 GAA (0.50) CNR1CNR2ALDH1A1L3MBTL1GAA
SCHEMBL29335450 0.68 MAPT (0.57) CNR1CNR2ALDH1A1LMNAL3MBTL1
SCHEMBL8632136 0.67 ALDH1A1 (0.49) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL10564229 0.67 MAPT (0.50) CNR1CNR2ALDH1A1LMNAL3MBTL1
SCHEMBL22340462 0.66 MAPT (0.58) CNR1CNR2ALDH1A1LMNAL3MBTL1
SCHEMBL22340935 0.66 MAPT (0.52) CNR1CNR2ALDH1A1LMNAL3MBTL1
SCHEMBL11777038 0.65 SLC6A2 (0.45) CNR1CNR2ALDH1A1LMNAL3MBTL1

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-5709816-A N,N-DISUBSTITUTED ANILINE COMPOUNDS KAO CORPORATION (JP) 1998-01-20 US disclosed