SCHEMBL21474533

SCHEMBL21474533

CCC(C)COC(=O)C(C)CC(=O)OCC(C)C

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
TSHR P16473 5/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
RECQL P46063 1/20 0.35
PRKCA P17252 2/20 0.33
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ELANE P08246 1/20 0.32
FFAR1 O14842 1/20 0.31
CYP3A4 P08684 2/20 0.31
CHRM1 P11229 1/20 0.31
ALOX15 P16050 1/20 0.31
ADORA1 P30542 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ATM Q13315 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
SCHEMBL2458412 0.89 TSHR (0.43) MAPTTSHRSMN1; SMN2RECQLPRKCA
SCHEMBL15491409 0.89 TSHR (0.43) MAPTTSHRSMN1; SMN2RECQLPRKCA
Ethane SCHEMBL2861058 0.87 TSHR (0.42) MAPTTSHRSMN1; SMN2RECQLPRKCA
SCHEMBL574287 0.83 MAPT (0.44) MAPTTSHRRECQLPRKCAALDH1A1
SCHEMBL8954811 0.78 MAPT (0.47) MAPTTSHRSMN1; SMN2ALDH1A1ELANE
SCHEMBL8954807 0.78 MAPT (0.47) MAPTTSHRSMN1; SMN2ALDH1A1ELANE
SCHEMBL1172359 0.78 MAPT (0.47) MAPTTSHRSMN1; SMN2ALDH1A1ELANE
SCHEMBL14672440 0.78 MAPT (0.41) MAPTTSHRRECQLPRKCATDP1
SCHEMBL5907693 0.77 MAPT (0.43) MAPTTSHRRECQLPRKCATDP1
SCHEMBL18924829 0.77 MAPT (0.46) MAPTTSHRSMN1; SMN2ALDH1A1TDP1

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-2683351-B1 USE OF A 2-METHYLSUCCINIC ACID DIESTER DERIVATIVE AS SOLVENT IN COSMETIC COMPOSITIONS; COSMETIC COMPOSITIONS CONTAINING THE SAME OREAL (FR) 2019-10-16 EP disclosed