SCHEMBL21765307

SCHEMBL21765307

CC(C)C(C)N(C)C(=O)CCCCCCCCN

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 4/20 0.45
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
PLG P00747 1/20 0.42
LMNA P02545 1/20 0.42
THRB P10828 1/20 0.42
ALOX15 P16050 1/20 0.42
SLC6A2 P23975 1/20 0.42
RECQL P46063 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP2D6 P10635 1/20 0.39
NFKB1 P19838 1/20 0.39
BLM P54132 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA4 P43681 1/20 0.35
GAA P10253 1/20 0.35
HDAC3 O15379 1/20 0.35

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
SCHEMBL13895331 0.82 PAOX (0.45) PAOXMEN1ALDH1A1PLGLMNA
SCHEMBL18023622 0.82 PAOX (0.42) PAOXMEN1ALDH1A1PLGLMNA
SCHEMBL24183277 0.80 LMNA (0.45) PAOXMEN1ALDH1A1PLGLMNA
SCHEMBL23086022 0.79 CHRNB2 (0.33) ALDH1A1CHRNB2CHRNB4CHRNA4HDAC1
SCHEMBL8297270 0.79 ALDH1A1 (0.56) ALDH1A1LMNACHRNB2CHRNB4CHRNA4
SCHEMBL17031405 0.79 ALDH1A1 (0.56) ALDH1A1LMNACHRNB2CHRNB4CHRNA4
SCHEMBL13895336 0.76 CYP1A2 (0.42) PAOXMEN1ALDH1A1PLGLMNA
SCHEMBL26742537 0.76 PAOX (0.40) PAOXMEN1ALDH1A1PLGLMNA
SCHEMBL8356812 0.76 PAOX (0.56) PAOXMEN1ALDH1A1PLGLMNA
SCHEMBL2979864 0.76 PAOX (0.56) PAOXMEN1ALDH1A1PLGLMNA

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
EP-3134127-B1 ANTIBODY-DRUG CONJUGATES WITH HIGH DRUG LOADING RINAT NEUROSCIENCE CORP (US) 2020-02-26 EP disclosed