SCHEMBL9760587

SCHEMBL9760587

CCN(c1ccc(O)cc1[N+](=O)[O-])N(CCO)CCO

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
KDM4E B2RXH2 1/20 0.48
HCAR3 P49019 4/20 0.43
POLB P06746 1/20 0.42
ALDH3A1 P30838 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 4/20 0.38
TDP1 Q9NUW8 2/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
BACE1 P56817 1/20 0.36
VCAM1 P19320 1/20 0.36
LMNA P02545 1/20 0.36
NSD2 O96028 1/20 0.36
NCOA1 Q15788 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
SCHEMBL9760048 0.83 HCAR3 (0.47) ALDH1A1KDM4EHCAR3ALDH3A1SMN1; SMN2
SCHEMBL182012 0.77 HCAR3 (0.49) ALDH1A1KDM4EHCAR3ALDH3A1SMN1; SMN2
SCHEMBL5821559 0.74 HCAR3 (0.48) ALDH1A1KDM4EHCAR3POLBALDH3A1
SCHEMBL688642 0.74 HCAR3 (0.51) ALDH1A1KDM4EHCAR3POLBALDH3A1
SCHEMBL15049708 0.73 HCAR3 (0.63) ALDH1A1KDM4EHCAR3POLBSMN1; SMN2
SCHEMBL18342758 0.70 HCAR3 (0.56) ALDH1A1HCAR3ALDH3A1SMN1; SMN2MAPT
SCHEMBL8448326 0.69 HCAR3 (0.55) ALDH1A1KDM4EHCAR3ALDH3A1SMN1; SMN2
SCHEMBL8935979 0.69 HCAR3 (0.55) ALDH1A1KDM4EHCAR3POLBALDH3A1
SCHEMBL9769611 0.69 HCAR3 (0.53) ALDH1A1KDM4EHCAR3POLBALDH3A1
SCHEMBL9281293 0.68 PDK1 (0.55) ALDH1A1POLBTDP1HTTBACE1

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-5026401-A Hair dyes L'OREAL (FR) 1991-06-25 US disclosed