SCHEMBL29852020

SCHEMBL29852020

N#CCCOC(=O)CCC1CCCCC(=O)O1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
CYP1A2 P05177 2/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
MGLL Q99685 1/20 0.30

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
SCHEMBL29852004 0.84 CYP1A2 (0.34) ALDH1A1CYP1A2LMNAPOLBMGLL
SCHEMBL29852058 0.82 CYP1A2 (0.35) ALDH1A1CYP1A2LMNAPOLBMGLL
SCHEMBL29851926 0.81 PRKCA (0.36) CYP1A2LMNAPOLBMGLL
SCHEMBL8151659 0.79 CYP1A2 (0.40) CYP1A2
SCHEMBL29852087 0.78 KDM4E (0.46) ALDH1A1HPGDLMNAPOLB
SCHEMBL29851894 0.78 CYP1A2 (0.39) CYP1A2
SCHEMBL29852086 0.75 HSD17B10 (0.38) ALDH1A1HPGDCYP1A2LMNAPOLB
SCHEMBL29852059 0.73 CYP1A2 (0.40) ALDH1A1CYP1A2
SCHEMBL11588783 0.72 CYP1A2 (0.46) CYP1A2
SCHEMBL29851943 0.72 CYP1A2 (0.39) ALDH1A1CYP1A2LMNA

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-2022207923-A1 SUBSTITUTED LACTONES, POLYMERS THEREOF, AND PROCESSES FOR PREPARING SAME SCE FRANCE (FR) 2022-10-06 WO disclosed