SCHEMBL29549657

SCHEMBL29549657

CCCCOC(=O)CCC1CC(CCC(=O)OCCCC)CC(CCC(=O)OCCCC)C1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.50
EPHX2 P34913 6/20 0.46
NAAA Q02083 1/20 0.46
ALDH1A1 P00352 2/20 0.45
HTR2C P28335 1/20 0.45
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
ATM Q13315 1/20 0.42
DNM1 Q05193 1/20 0.42
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
RAD52 P43351 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAPK1 P28482 1/20 0.39
FAAH O00519 1/20 0.39

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
SCHEMBL29549695 0.95 NAAA (0.53) DGKAEPHX2NAAAHTR2CDNM1
SCHEMBL28594649 0.93 DGKA (0.44) DGKAEPHX2NAAAALDH1A1HTR2C
SCHEMBL29550158 0.93 NAAA (0.56) DGKAEPHX2NAAAHTR2CTSHR
SCHEMBL29549964 0.93 NAAA (0.56) DGKAEPHX2NAAAHTR2CTSHR
SCHEMBL31307903 0.93 NAAA (0.56) DGKAEPHX2NAAAHTR2CTSHR
SCHEMBL31307933 0.93 NAAA (0.56) DGKAEPHX2NAAAHTR2CTSHR
SCHEMBL29549829 0.93 NAAA (0.56) DGKAEPHX2NAAAHTR2CTSHR
SCHEMBL28820927 0.89 DGKA (0.50) DGKAEPHX2NAAAALDH1A1HTR2C
SCHEMBL28590049 0.89 NAAA (0.47) DGKAEPHX2NAAAALDH1A1HTR2C
SCHEMBL28586180 0.87 NAAA (0.50) DGKAEPHX2NAAAALDH1A1HTR2C

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-112979467-B Triesters of cyclohexane tripropionic acid 赢创奥克森诺有限责任两合公司 2025-01-07 CN disclosed
EP-3838888-B1 TRIESTERS OF CYCLOHEXANTRIPROPIONIC ACID EVONIK OPERATIONS GMBH (DE) 2022-03-30 EP disclosed