SCHEMBL24485293

SCHEMBL24485293

CN(C)CCC(=O)OCCNCCO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.44
PAOX Q6QHF9 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CHRNB2 P17787 2/20 0.36
CHRNA4 P43681 2/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
CYP1A2 P05177 2/20 0.34
CYP2C19 P33261 2/20 0.34
POLB P06746 1/20 0.34
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
KDM4E B2RXH2 3/20 0.33
ADRA2A P08913 1/20 0.33

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
SCHEMBL22460827 0.81 DNM1 (0.52) DNM1MEN1KMT2ACHRNB2CHRNA4
SCHEMBL13314573 0.80 NAAA (0.45) MEN1KMT2ACYP1A2CYP2C19POLB
SCHEMBL24465441 0.79 TSHR (0.36) MEN1KMT2ACYP1A2CYP2C19POLB
SCHEMBL22460427 0.78 DNM1 (0.58) DNM1PAOXMEN1KMT2ACHRNB2
SCHEMBL3773947 0.78 PAOX (0.51) DNM1PAOXMEN1KMT2ACHRNB2
SCHEMBL11668491 0.77 DNM1 (0.66) DNM1MEN1KMT2ACHRNB2CHRNA4
SCHEMBL21512454 0.76 MEN1 (0.42) DNM1PAOXMEN1KMT2ATHRA
SCHEMBL25595467 0.76 DGKA (0.61) DNM1MEN1KMT2ATSHRKDM4E
SCHEMBL889304 0.76 ALDH1A1 (0.38) DNM1PAOXMEN1KMT2APOLB
SCHEMBL16390368 0.75 DGKA (0.65) DNM1MEN1KMT2ATSHRKDM4E

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
WO-2022112855-A1 LIPID COMPOUND AND THE COMPOSITION THEREOF Guangzhou Ribobio Co., Ltd (CN) 2022-06-02 WO disclosed