SCHEMBL5517032

SCHEMBL5517032

CC(C)Cc1ccc(C(=O)O)c(C(=O)O)c1CCC(C)CC(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.32
MEN1 O00255 3/20 0.32
HPGD P15428 3/20 0.32
KMT2A Q03164 3/20 0.32
ALDH1A1 P00352 2/20 0.32
DPP4 P27487 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
ADRB3 P13945 3/20 0.31
ADRB1 P08588 1/20 0.31
CRHBP P24387 2/20 0.31
HTT P42858 2/20 0.31
CRHR2 Q13324 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
MAPT P10636 2/20 0.31
AKR1C2 P52895 2/20 0.31
AKR1C1 Q04828 1/20 0.31
FBP1 P09467 1/20 0.31
EGFR P00533 1/20 0.30
PTGS1 P23219 3/20 0.30

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
SCHEMBL1582331 0.91 EGFR (0.32) EGFR
SCHEMBL5517030 0.90 DPP4 (0.32) LMNAMEN1HPGDKMT2AALDH1A1
SCHEMBL5531085 0.90 EGFR (0.31) EGFR
SCHEMBL5525474 0.88 PTPN1 (0.34) DPP4DPP8DPP9EGFR
SCHEMBL5528276 0.85 BID (0.35) ALDH1A1
SCHEMBL5525472 0.85 LDHA (0.32) DPP4DPP8DPP9EGFR
SCHEMBL5531082 0.84 EGFR (0.33) MEN1HPGDKMT2AALDH1A1EGFR
SCHEMBL5512213 0.83 KDM4E (0.31) ALDH1A1
SCHEMBL5528272 0.83 GABRP (0.35) ALDH1A1DPP4RARB
SCHEMBL5526605 0.82 ACE2 (0.36)

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