SCHEMBL5517030

SCHEMBL5517030

CC(C)Cc1c(CCC(C)CC(C)(C)C)ccc(C(=O)O)c1C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
ADRB3 P13945 2/20 0.31
LMNA P02545 4/20 0.31
MEN1 O00255 2/20 0.31
HPGD P15428 2/20 0.31
KMT2A Q03164 2/20 0.31
CRHBP P24387 1/20 0.31
HTT P42858 1/20 0.31
CRHR2 Q13324 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
AKR1C2 P52895 2/20 0.31
AKR1C1 Q04828 1/20 0.31
EGFR P00533 1/20 0.30
ALDH1A1 P00352 1/20 0.30
PTGS1 P23219 3/20 0.30
PTGS2 P35354 3/20 0.30
CYP2C9 P11712 2/20 0.30
AKR1C3 P42330 2/20 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
SCHEMBL5517032 0.90 LMNA (0.32) DPP4DPP8DPP9ADRB3LMNA
SCHEMBL5531082 0.89 EGFR (0.33) MEN1HPGDKMT2AEGFRALDH1A1
SCHEMBL5525472 0.88 LDHA (0.32) DPP4DPP8DPP9EGFR
SCHEMBL5528272 0.85 GABRP (0.35) DPP4ALDH1A1RARB
SCHEMBL5525474 0.85 PTPN1 (0.34) DPP4DPP8DPP9EGFR
SCHEMBL5531085 0.85 EGFR (0.31) EGFR
SCHEMBL5512212 0.83 METAP2 (0.34) EGFR
SCHEMBL5528276 0.83 BID (0.35) ALDH1A1
SCHEMBL5526601 0.82 EGFR (0.31) EGFRALB

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