SCHEMBL29533798

SCHEMBL29533798

CCCCOC(=O)N1CCCCC1c1ncc[nH]1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.37
TMEM97 Q5BJF2 2/20 0.37
SIGMAR1 Q99720 2/20 0.37
MAPT P10636 1/20 0.36
ALDH1A1 P00352 3/20 0.35
HPGD P15428 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ECE1 P42892 1/20 0.35
GBA2 Q9HCG7 1/20 0.35
POLB P06746 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
PTGDR2 Q9Y5Y4 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
SCHEMBL15773304 0.80 UCHL1 (0.42) L3MBTL1ALDH1A1MEN1KMT2ALMNA
SCHEMBL3723576 0.80 UCHL1 (0.42) L3MBTL1ALDH1A1MEN1KMT2ALMNA
SCHEMBL7576252 0.79 SIGMAR1 (0.53) TMEM97SIGMAR1
SCHEMBL752042 0.77 CYP3A4 (0.40) L3MBTL1ALDH1A1MEN1KMT2APTGDR2
SCHEMBL1759015 0.77 PRCP (0.40) L3MBTL1ALDH1A1MEN1KMT2AECE1
SCHEMBL34474164 0.76 ALDH1A1 (0.46) L3MBTL1ALDH1A1MEN1KMT2ALMNA
SCHEMBL47019 0.76 ALDH1A1 (0.46) L3MBTL1ALDH1A1MEN1KMT2ALMNA
SCHEMBL239739 0.76 ALDH1A1 (0.46) L3MBTL1ALDH1A1MEN1KMT2ALMNA
SCHEMBL22721972 0.75 TMEM97 (0.56) L3MBTL1TMEM97SIGMAR1HPGDNPC1
SCHEMBL24015824 0.75 HTR2B (0.40) MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4192423-A1 COOLING SENSATION COMPOSITIONS Givaudan SA (CH) 2023-06-14 EP disclosed
WO-2022028976-A1 COOLING SENSATION COMPOSITIONS GIVAUDAN SA (CH) 2022-02-10 WO disclosed