SCHEMBL29089346

SCHEMBL29089346

CCC=CC(=O)OCCC(C)(C)OC

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.40
HCAR2 Q8TDS4 5/20 0.38
ALDH1A1 P00352 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
LMNA P02545 1/20 0.35
CYP3A4 P08684 1/20 0.35
APP P05067 6/20 0.35
MAPT P10636 2/20 0.34
ALOX5 P09917 1/20 0.34
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TSHR P16473 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
SCHEMBL9869609 0.87 ATM (0.47) ATMHCAR2ALDH1A1TDP1LMNA
SCHEMBL9869612 0.87 ATM (0.47) ATMHCAR2ALDH1A1TDP1LMNA
SCHEMBL3368716 0.77 TSHR (0.50) ATMALDH1A1TDP1LMNACYP3A4
SCHEMBL9576556 0.76 MAPT (0.53) ATMHCAR2ALDH1A1TDP1LMNA
SCHEMBL9576555 0.76 MAPT (0.53) ATMHCAR2ALDH1A1TDP1LMNA
SCHEMBL534938 0.76 ATM (0.47) ATMHCAR2ALDH1A1APPMAPT
SCHEMBL691277 0.75 HCAR2 (0.63) ATMHCAR2ALDH1A1APPMAPT
SCHEMBL691276 0.75 HCAR2 (0.63) ATMHCAR2ALDH1A1APPMAPT
SCHEMBL9561910 0.75 HCAR2 (0.63) ATMHCAR2ALDH1A1APPMAPT
SCHEMBL26612976 0.75 ATM (0.42) ATMHCAR2ALDH1A1APPMAPT

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-111868617-B Liquid crystal aligning agent, polymer for obtaining the same, liquid crystal alignment film, and liquid crystal display element using the same 日产化学株式会社 2023-09-12 CN disclosed