SCHEMBL8867650

SCHEMBL8867650

COc1cc(CC[O])ccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
TDP1 Q9NUW8 1/20 0.50
LMNA P02545 2/20 0.49
MAPT P10636 4/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
SIRT6 Q8N6T7 1/20 0.47
TTR P02766 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
CHEK1 O14757 2/20 0.44
HTT P42858 2/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL8867003 0.87 SMN1; SMN2 (0.57) ALDH1A1TDP1LMNACYP1A2CYP2C19
SCHEMBL18138414 0.87 ALDH1A1 (0.53) ALDH1A1TDP1LMNAMAPTCYP1A2
SCHEMBL8867665 0.86 SMN1; SMN2 (0.52) ALDH1A1TDP1LMNAMAPTCYP1A2
SCHEMBL10410570 0.86 KDM4E (0.60) ALDH1A1TDP1LMNAMAPTCYP1A2
SCHEMBL30875697 0.86 SMN1; SMN2 (0.52) ALDH1A1TDP1LMNAMAPTCYP1A2
SCHEMBL1531355 0.83 ALDH1A1 (0.53) ALDH1A1TDP1LMNAMAPTCYP1A2
SCHEMBL19122730 0.83 PPARG (0.55) ALDH1A1TDP1LMNAMAPTCYP1A2
SCHEMBL28739225 0.83 MAPT (0.47) ALDH1A1TDP1LMNAMAPTCYP1A2
SCHEMBL704754 0.82 TTR (0.64) ALDH1A1TDP1LMNAMAPTCYP1A2
SCHEMBL14136128 0.82 ALDH1A1 (0.51) ALDH1A1TDP1LMNAMAPTCYP1A2

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-5686484-A ANTHELMINTICS, ACARICIDES, INSECTICIDES SANKYO CO., LTD. (JP) 1997-11-11 US disclosed