SCHEMBL31052142

SCHEMBL31052142

CC1COc2cccc(N3CCN(O)CC3)c2O1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 2/20 0.41
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.41
HTR1A P08908 1/20 0.41
ALOX12 P18054 1/20 0.41
PMP22 Q01453 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ADRB1 P08588 1/20 0.40
GAA P10253 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
SCHEMBL31052217 0.89 HTR1A (0.41) ADRA1DADRA1AADRA1BALDH1A1MAPK1
SCHEMBL31051912 0.87 ALDH1A1 (0.45) ALDH1A1MAPK1LMNACYP3A4HTR1A
SCHEMBL31051860 0.86 ALDH1A1 (0.41) ADRA1DADRA1AADRA1BALDH1A1MAPK1
SCHEMBL31052120 0.86 ALDH1A1 (0.41) ADRA1DADRA1AADRA1BALDH1A1MAPK1
SCHEMBL31052093 0.84 ADRA1D (0.42) ADRA1DADRA1AADRA1BALDH1A1MAPK1
SCHEMBL31051939 0.84 KMT2A (0.46) KMT2A
SCHEMBL31051729 0.83 ADRA1D (0.41) ADRA1DADRA1AADRA1BALDH1A1MAPK1
SCHEMBL31051884 0.83 GAA (0.41) ADRA1DADRA1AADRA1BALDH1A1MAPK1
SCHEMBL31052182 0.83 ADRB1 (0.61) HTR1AADRB1
SCHEMBL31052066 0.76 ADRB1 (0.67) ALDH1A1MAPK1LMNACYP3A4HTR1A

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
EP-4678188-A1 PHARMACEUTICAL COMPOSITION FOR TREATING, PREVENTING, OR MANAGING BILIRUBIN-INDUCED NEUROLOGICAL DYSFUNCTION, PSYCHIATRIC DISORDERS ASSOCIATED WITH JAUNDICE, OR PSYCHIATRIC DISORDERS CAUSED BY BILIRUBIN UDP-GLUCURONOSYLTRANSFERASE GENE MUTATIONS Ohnishi, Arata (JP) 2026-01-14 EP disclosed
WO-2024185842-A1 PHARMACEUTICAL COMPOSITION FOR TREATING, PREVENTING, OR MANAGING BILIRUBIN-INDUCED NEUROLOGICAL DYSFUNCTION, PSYCHIATRIC DISORDERS ASSOCIATED WITH JAUNDICE, OR PSYCHIATRIC DISORDERS CAUSED BY BILIRUBIN UDP-GLUCURONOSYLTRANSFERASE GENE MUTATIONS 国立大学法人島根大学 2024-09-12 WO disclosed