SCHEMBL30749463

SCHEMBL30749463

CCCCCC(CC)C(=O)O.CCCCCCCC(=O)OCC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.58
MAPK1 P28482 1/20 0.58
PAM P19021 2/20 0.51
DGKA P23743 1/20 0.51
MAPT P10636 1/20 0.49
LMNA P02545 4/20 0.47
GRIK1 P39086 2/20 0.47
GRIK2 Q13002 2/20 0.47
TSHR P16473 2/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP3A4 P08684 1/20 0.47
ATM Q13315 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
KDM4E B2RXH2 1/20 0.46
DUSP3 P51452 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SLC1A2 P43004 1/20 0.45
SLC1A1 P43005 1/20 0.45
CA1 P00915 1/20 0.45

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
SCHEMBL29833581 1.00 CA2 (0.58) CA2MAPK1PAMDGKAMAPT
SCHEMBL29446931 1.00 CA2 (0.58) CA2MAPK1PAMDGKAMAPT
Ethyl Tetradecanoate SCHEMBL29418166 1.00 CA2 (0.58) CA2MAPK1PAMDGKAMAPT
SCHEMBL29443812 1.00 CA2 (0.58) CA2MAPK1PAMDGKAMAPT
SCHEMBL29418219 1.00 CA2 (0.58) CA2MAPK1PAMDGKAMAPT
SCHEMBL31231845 1.00 CA2 (0.58) CA2MAPK1PAMDGKAMAPT
SCHEMBL8163843 1.00 CA2 (0.58) CA2MAPK1PAMDGKAMAPT
SCHEMBL31239221 1.00 CA2 (0.58) CA2MAPK1PAMDGKAMAPT
SCHEMBL29875310 1.00 CA2 (0.58) CA2MAPK1PAMDGKAMAPT
SCHEMBL29443813 1.00 CA2 (0.58) CA2MAPK1PAMDGKAMAPT

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
CN-117396591-A Fragrance and evaluation method for improving happy state 奇华顿股份有限公司 2024-01-12 CN claimed
CN-117396591-A Fragrance and evaluation method for improving happy state 奇华顿股份有限公司 2024-01-12 CN disclosed