SCHEMBL8832240

SCHEMBL8832240

COc1ccc(/C=C/C(=O)Oc2ccc([N+](=O)[O-])cc2)cc1OCCCN(C)C

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
LMNA P02545 2/20 0.53
ALDH1A1 P00352 2/20 0.53
BCHE P06276 7/20 0.52
ACHE P22303 6/20 0.52
CYP19A1 P11511 1/20 0.51
PTGS2 P35354 1/20 0.51
GAA P10253 2/20 0.48
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 2/20 0.48
FDPS P14324 2/20 0.48
MMP1 P03956 1/20 0.48
MEN1 O00255 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL8832242 1.00 MAPT (0.53) MAPTSMN1; SMN2LMNAALDH1A1BCHE
SCHEMBL9523759 0.85 PTGS2 (0.69) MAPTSMN1; SMN2ALDH1A1CYP19A1PTGS2
SCHEMBL9523755 0.85 PTGS2 (0.69) MAPTSMN1; SMN2ALDH1A1CYP19A1PTGS2
SCHEMBL8832161 0.81 PTGS2 (0.52) MAPTSMN1; SMN2LMNAALDH1A1CYP19A1
SCHEMBL8832165 0.81 PTGS2 (0.52) MAPTSMN1; SMN2LMNAALDH1A1CYP19A1
SCHEMBL8832155 0.80 PTGS2 (0.50) MAPTSMN1; SMN2LMNAALDH1A1CYP19A1
SCHEMBL8832152 0.80 PTGS2 (0.50) MAPTSMN1; SMN2LMNAALDH1A1CYP19A1
SCHEMBL9059249 0.79 PTGS2 (0.60) MAPTSMN1; SMN2LMNAALDH1A1CYP19A1
SCHEMBL9522627 0.79 CYP19A1 (0.55) MAPTSMN1; SMN2LMNAALDH1A1CYP19A1
SCHEMBL1597196 0.79 MAPT (0.66) MAPTSMN1; SMN2LMNAALDH1A1ACHE

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5670492-A BACTERICIDE, ANTITUMOR AGENT KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-09-23 US disclosed
EP-0702014-A1 DC-89 DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 1996-03-20 EP disclosed