SCHEMBL11738696

SCHEMBL11738696

CC1(C)CC(O)(C2(O)CC(C)(C)N(CC3CO3)C(C)(C)C2)CC(C)(C)N1CC1CO1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.34
HBB P68871 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL11143047 0.77 TP53 (0.32) TP53HBBSMN1; SMN2
SCHEMBL315848 0.76 TP53 (0.34) TP53HBBSMN1; SMN2
SCHEMBL354961 0.75 TP53 (0.37) TP53HBBSMN1; SMN2
SCHEMBL6575757 0.75 TP53 (0.37) TP53HBBSMN1; SMN2
SCHEMBL11355168 0.74 TP53 (0.31) TP53HBBSMN1; SMN2
SCHEMBL11706795 0.74 TP53 (0.31) TP53HBBSMN1; SMN2
SCHEMBL13121621 0.73 TP53 (0.35) TP53HBBSMN1; SMN2
SCHEMBL11476069 0.68 SMN1; SMN2 (0.36) TP53HBBSMN1; SMN2
SCHEMBL11140350 0.67 KMT2A (0.42) TP53HBBSMN1; SMN2
SCHEMBL11590438 0.66

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-4061616-A PHOTO- AND THERMAL DEGRADATION, OCTAMETHYL-4,4'-DIHYDROXY-BIPIPERIDYLS SANKYO COMPANY LIMITED (JA) 1977-12-06 US disclosed