SCHEMBL11279542

SCHEMBL11279542

CCN(CC)Cc1cc(CN(CC)CC)c(O)c(C(C)(C)C)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.57
MAPT P10636 4/20 0.57
MAPK1 P28482 4/20 0.57
KDM4E B2RXH2 3/20 0.57
HTT P42858 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
HPGD P15428 1/20 0.57
HSPA5 P11021 2/20 0.56
LMNA P02545 3/20 0.54
TSHR P16473 3/20 0.54
GAA P10253 2/20 0.54
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
RECQL P46063 2/20 0.52
POLB P06746 2/20 0.52
THRB P10828 1/20 0.52
APEX1 P27695 1/20 0.52
CACNA1B Q00975 1/20 0.52
APBA1 Q02410 1/20 0.52
MCL1 Q07820 1/20 0.52

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
SCHEMBL4821251 0.90 ALDH1A1 (0.69) ALDH1A1MAPTMAPK1KDM4EHTT
Hydrochloric Acid SCHEMBL8843636 0.88 ALDH1A1 (0.67) ALDH1A1MAPTMAPK1KDM4EHTT
SCHEMBL5805285 0.84 HTT (0.59) ALDH1A1MAPTMAPK1KDM4EHTT
SCHEMBL10999939 0.83 CYP2C19 (0.54) ALDH1A1MAPTMAPK1KDM4EHTT
SCHEMBL10497172 0.83 ALDH1A1 (0.53) ALDH1A1MAPTMAPK1KDM4EHTT
SCHEMBL12904884 0.81 ALDH1A1 (0.51) ALDH1A1MAPTMAPK1KDM4EHTT
Hydrochloric Acid SCHEMBL918378 0.80 ALDH1A1 (0.50) ALDH1A1MAPTMAPK1KDM4EHTT
SCHEMBL39169 0.80 ALDH1A1 (0.76) ALDH1A1MAPTMAPK1KDM4EHTT
SCHEMBL30605021 0.79 ALDH1A1 (0.79) ALDH1A1MAPTMAPK1KDM4EHTT
SCHEMBL11266138 0.79 ALDH1A1 (0.79) ALDH1A1MAPTMAPK1KDM4EHTT

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-4322304-A ANTIOXIDANTS PHILLIPS PETROLEUM COMPANY (US) 1982-03-30 US disclosed