SCHEMBL5513397

SCHEMBL5513397

CC(CCc1cccc(C(=O)O)c1C(=O)O)CC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 5/20 0.43
HMGB1 P09429 1/20 0.37
BID P55957 4/20 0.37
MCL1 Q07820 4/20 0.37
BCL2L1 Q07817 3/20 0.37
BAK1 Q16611 3/20 0.37
KAT8 Q9H7Z6 2/20 0.37
PPARA Q07869 2/20 0.37
PPARG P37231 1/20 0.37
EP300 Q09472 1/20 0.37
KAT2A Q92830 1/20 0.37
KAT2B Q92831 1/20 0.37
KAT5 Q92993 1/20 0.37
SAE1 Q9UBE0 1/20 0.37
ALOX15 P16050 1/20 0.36
PRKCG P05129 1/20 0.35
PRKCB P05771 1/20 0.35
PRKCA P17252 1/20 0.35
PRKCH P24723 1/20 0.35
PRKCE Q02156 1/20 0.35

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
SCHEMBL466771 0.87 FOLH1 (0.50) FOLH1HMGB1ALOX15CLCN2
SCHEMBL5512212 0.82 METAP2 (0.34)
SCHEMBL1582331 0.82 EGFR (0.32)
SCHEMBL9338483 0.82 FOLH1 (0.49) FOLH1HMGB1BIDMCL1BCL2L1
SCHEMBL5526601 0.81 EGFR (0.31)
SCHEMBL5531082 0.80 EGFR (0.33)
SCHEMBL6057622 0.79 EGFR (0.36)
SCHEMBL5516223 0.79 EGFR (0.30)
SCHEMBL5525472 0.79 LDHA (0.32)
SCHEMBL5517030 0.79 DPP4 (0.32)

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 5 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
US-6841522-B2 Lubricant compositions IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 2005-01-11 US disclosed
US-4608277-A POLYURETHANE-POLYUREA CASING CASELLA AKTIENGESELLSCHAFT (DE) 1986-08-26 US disclosed
US-4547429-A Encapsulated salts of acid particles wherein the salt particles are surrounded by a polyurethane/polyurea casing CASSELLA AKTIENGESELLSCHAFT (DE) 1985-10-15 US disclosed