SCHEMBL30969320

SCHEMBL30969320

NC(=O)c1ccc(OCCN2CC3OCCOC3C2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.58
PARP10 Q53GL7 7/20 0.49
TBXAS1 P24557 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
GAA P10253 1/20 0.47
PSMB1 P20618 1/20 0.47
PSMB5 P28074 1/20 0.47
PSMB2 P49721 1/20 0.47
PARP15 Q460N3 4/20 0.47
PARP2 Q9UGN5 2/20 0.47
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HRH2 P25021 1/20 0.44
HRH1 P35367 1/20 0.44
LTA4H P09960 1/20 0.44
CHEK2 O96017 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 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
SCHEMBL22048752 0.82 HRH3 (0.62) HRH3PARP10TBXAS1SMN1; SMN2PSMB1
SCHEMBL1978047 0.82 HRH3 (0.78) HRH3PARP10TBXAS1SMN1; SMN2PSMB1
SCHEMBL3827146 0.82 HRH3 (0.70) HRH3PARP10TBXAS1SMN1; SMN2PSMB1
SCHEMBL30969254 0.80 HRH3 (0.88) HRH3PARP10TBXAS1PSMB1PSMB5
SCHEMBL3007594 0.80 GAA (0.71) HRH3SMN1; SMN2GAAPSMB1PSMB5
Hydrochloric Acid SCHEMBL14742324 0.78 GAA (0.70) HRH3SMN1; SMN2GAAKDM4EALDH1A1
SCHEMBL3026592 0.77 PSMB1 (0.75) HRH3PSMB1PSMB5PSMB2KDM4E
SCHEMBL18763407 0.76 LTA4H (0.48) HRH3HRH2HRH1LTA4HCA12
SCHEMBL30969263 0.76 PSMB1 (0.78) HRH3PSMB1PSMB5PSMB2KDM4E
SCHEMBL3828655 0.76 HRH3 (0.81) HRH3PARP10TBXAS1PARP15PARP2

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-4642766-A1 COMPOUNDS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2025-11-05 EP disclosed
WO-2024145585-A1 COMPOUNDS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-07-04 WO disclosed