SCHEMBL5517633

SCHEMBL5517633

CCC(C)c1ccc(C(=O)O)c(C(=O)O)c1C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 2/20 0.37
ACE2 Q9BYF1 1/20 0.33
CAMKK1 Q8N5S9 3/20 0.33
CAMKK2 Q96RR4 3/20 0.33
PPARA Q07869 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KMO O15229 1/20 0.32
EPHX1 P07099 1/20 0.32
KMT2A Q03164 2/20 0.32
CETP P11597 1/20 0.32
CYP3A4 P08684 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
RAB9A P51151 1/20 0.32
KDM4E B2RXH2 1/20 0.31
GLA P06280 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HIF1A Q16665 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL5512339 0.86 ACMSD (0.40) ACMSDACE2CAMKK2KMOKMT2A
SCHEMBL5517628 0.80 ACMSD (0.38) ACMSDCAMKK1CAMKK2NPSR1KMO
SCHEMBL5520152 0.79 ACMSD (0.41) ACMSDCAMKK1CAMKK2NPSR1KMO
SCHEMBL14989243 0.78 ACMSD (0.47) ACMSDCAMKK1CAMKK2KMOEPHX1
SCHEMBL5524022 0.77 ACMSD (0.38) ACMSDKMOKMT2AHPGDKDM4E
SCHEMBL5517327 0.76 ACMSD (0.43) ACMSDCAMKK2KMOKMT2ACYP3A4
SCHEMBL5518208 0.76 ACMSD (0.38) ACMSDCAMKK1CAMKK2KMOKMT2A
SCHEMBL8603134 0.75 ACE2 (0.40) ACE2PPARANPSR1RAB9AKDM4E
SCHEMBL8878681 0.75 ACE2 (0.40) ACE2PPARAKMT2ARAB9AKDM4E
SCHEMBL167431 0.74 ACMSD (0.44) ACMSDCAMKK1CAMKK2KMOKMT2A

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
US-7282601-B2 Dicarboxylic diester, process for producing the same, and refrigerating machine lubricating oil comprising the ester NEW JAPAN CHEMICAL CO., LTD. (JP) 2007-10-16 US disclosed
US-7271282-B1 Dicarboxylic diester, process for producing the same, and refrigerating machine lubricating oil comprising the ester NEW JAPAN CHEMICAL CO., LTD. (JP) 2007-09-18 US disclosed