SCHEMBL5531082

SCHEMBL5531082

CCc1c(CCC(C)CC(C)(C)C)ccc(C(=O)O)c1C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.33
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
KMT2A Q03164 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
SCHEMBL1582331 0.92 EGFR (0.32) EGFR
SCHEMBL5525472 0.91 LDHA (0.32) EGFR
SCHEMBL5531085 0.91 EGFR (0.31) EGFR
SCHEMBL5528272 0.89 GABRP (0.35) ALDH1A1
SCHEMBL5517030 0.89 DPP4 (0.32) EGFRMEN1ALDH1A1HPGDTSHR
SCHEMBL5525474 0.89 PTPN1 (0.34) EGFR
SCHEMBL5528276 0.86 BID (0.35) ALDH1A1
SCHEMBL5526601 0.86 EGFR (0.31) EGFR
SCHEMBL5512212 0.84 METAP2 (0.34) EGFR
SCHEMBL5517032 0.84 LMNA (0.32) EGFRMEN1ALDH1A1HPGDTSHR

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