SCHEMBL3763444

SCHEMBL3763444

CCCCC(CC)OC(=O)C1(C(=O)O)CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.39
PRKCD Q05655 1/20 0.39
EPHX2 P34913 2/20 0.37
CTSK P43235 7/20 0.35
CTSL P07711 4/20 0.35
CTSB P07858 4/20 0.35
CA2 P00918 4/20 0.35
MAPK1 P28482 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CA1 P00915 2/20 0.33

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
SCHEMBL30767242 0.96 PRKCA (0.35) PRKCAPRKCDEPHX2CTSKCTSL
SCHEMBL2917640 0.94 GPR84 (0.36) PRKCAPRKCDEPHX2MEN1KMT2A
SCHEMBL3769603 0.92 PRKCA (0.41) PRKCAPRKCDEPHX2CTSKCTSL
SCHEMBL5370063 0.90 GPR84 (0.37) CA2MEN1KMT2A
SCHEMBL5363144 0.89 TSHR (0.35) PRKCAPRKCDCTSKCTSLCTSB
SCHEMBL5368458 0.88 GPR84 (0.38) MAPK1
SCHEMBL28334565 0.88 GPR84 (0.38) MAPK1
SCHEMBL5373628 0.87 CA2 (0.33) CTSKCA2MAPK1MEN1KMT2A
SCHEMBL2918990 0.87 PRKCA (0.37) PRKCAPRKCDEPHX2CTSKMAPK1
SCHEMBL5369074 0.86 FAAH (0.33) CTSKCTSLCTSBMEN1KMT2A

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-20100310891-A1 Compositions Based on C4-C7 Secondary Aliphatic Alcohol Esters of Cyclohexanecarboxylic Acids EXXONMOBIL CHEMICAL PATENTS INC. 2010-12-09 US disclosed
WO-2009070399-A1 COMPOSITIONS BASED ON C4-C7 SECONDARY ALIPHATIC ALCOHOL ESTERS OF CYCLOHEXANECARBOXYLIC ACIDS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2009-06-04 WO disclosed