SCHEMBL26424849

SCHEMBL26424849

CN(C)CCNC(=O)c1ccc2c(C=O)c(O)ccc2c1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 13/20 0.54
ALDH1A1 P00352 1/20 0.44
ALOX5 P09917 1/20 0.44
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
NCEH1 Q6PIU2 1/20 0.43
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL12675639 0.80 ERN1 (0.64) ERN1
SCHEMBL11660803 0.79 ERN1 (0.58) ERN1
SCHEMBL2565847 0.78 HTR2C (0.55) ALDH1A1HTTSMN1; SMN2
SCHEMBL30406074 0.78 HTR2C (0.55) ALDH1A1HTTSMN1; SMN2
SCHEMBL9311910 0.77 ALOX5 (0.57) ALDH1A1ALOX5LMNATP53HTT
SCHEMBL12674917 0.76 ERN1 (0.61) ERN1SMN1; SMN2
SCHEMBL30406177 0.75 KDM4E (0.53) ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL30406437 0.75 CYP2D6 (0.51) ALDH1A1LMNATP53HTTSMN1; SMN2
SCHEMBL2552944 0.75 KDM4E (0.53) ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL2555270 0.75 CYP2D6 (0.51) ALDH1A1LMNATP53HTTSMN1; SMN2

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-20230126240-A1 COLORING COMPOSITION, FILM, OPTICAL FILTER, SOLID-STATE IMAGING ELEMENT, IMAGE DISPLAY DEVICE, AND COMPOUND FUJIFILM CORPORATION (JP) 2023-04-27 US disclosed