SCHEMBL21474645

SCHEMBL21474645

C=C(OCC(CC)CCCCC)C(C)CC(=O)OCC(CC)CCCC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.57
TSHR P16473 3/20 0.57
TDP1 Q9NUW8 2/20 0.57
ATM Q13315 1/20 0.57
RECQL P46063 1/20 0.56
PRSS1 P07477 1/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46
ALDH1A1 P00352 6/20 0.45
CA2 P00918 3/20 0.45
LMNA P02545 4/20 0.41
MAPK1 P28482 3/20 0.41
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 1/20 0.38
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
MMP14 P50281 1/20 0.36
CA1 P00915 1/20 0.36
ZDHHC7 Q9NXF8 1/20 0.36

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
SCHEMBL10142335 0.84 RECQL (0.67) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL17816196 0.82 CYP3A4 (0.64) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL5075329 0.82 CYP3A4 (0.68) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL5079151 0.82 CYP3A4 (0.68) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL5076011 0.82 CYP3A4 (0.68) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL5074105 0.82 CYP3A4 (0.68) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL12039481 0.82 TSHR (0.54) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL28835047 0.81 CYP3A4 (0.66) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL20368911 0.81 CYP3A4 (0.70) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL28246238 0.80 CYP3A4 (0.74) CYP3A4TSHRTDP1ATMRECQL

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