SCHEMBL29147809

SCHEMBL29147809

CCN(CC)CC(O)c1n[nH]c(=O)o1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SORT1 Q99523 1/20 0.40
NOTUM Q6P988 6/20 0.34
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
RAD52 P43351 1/20 0.31
MTNR1B P49286 1/20 0.31

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
SCHEMBL29147980 0.83 SORT1 (0.42) SORT1NOTUMMTNR1B
SCHEMBL29147620 0.80 ENPP3 (0.36) ALDH1A1CYP1A2CYP2D6RAD52
SCHEMBL29147768 0.76 SORT1 (0.47) SORT1NOTUM
SCHEMBL14211474 0.72
SCHEMBL29147559 0.71 SORT1 (0.38) SORT1NOTUM
SCHEMBL29147634 0.71 SORT1 (0.38) SORT1MTNR1B
SCHEMBL29181412 0.70 ALDH1A1 (0.34) ALDH1A1CYP1A2CYP2D6RAD52
SCHEMBL29147835 0.69 SORT1 (0.39) SORT1MTNR1B
SCHEMBL20837406 0.64 ALDH1A1 (0.41) SORT1NOTUMALDH1A1CYP2D6MTNR1B
SCHEMBL29147545 0.62 ENPP3 (0.35) ALDH1A1

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
CN-117263876-A Hydroxyalkyl connected anilino-pyrazolone compound and synthetic method and application thereof 吉首大学 2023-12-22 CN disclosed