SCHEMBL2229035

SCHEMBL2229035

CC(C)CCCCC1(C(=O)O)CCC(C(=O)O)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
BLM P54132 1/20 0.35
FNTA P49354 2/20 0.34
FNTB P49356 2/20 0.34
GRM2 Q14416 2/20 0.34
GRM3 Q14832 2/20 0.34
GRM4 Q14833 2/20 0.34
CYP1A2 P05177 1/20 0.34
ALOX15 P16050 1/20 0.34
CYP2C19 P33261 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
GRM8 O00222 1/20 0.34
GRM6 O15303 1/20 0.34
LMNA P02545 1/20 0.34
GRM5 P41594 1/20 0.34
MTOR P42345 1/20 0.34
GRM1 Q13255 1/20 0.34
PLCB1 Q9NQ66 1/20 0.34
TSHR P16473 1/20 0.34
CPB2 Q96IY4 1/20 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
SCHEMBL31157050 0.83 BLM (0.41) BLMCYP2C19LMNACPB2CDC25A
SCHEMBL31157055 0.83 BLM (0.41) BLMCYP2C19LMNACPB2CDC25A
SCHEMBL30959045 0.83 BLM (0.41) BLMCYP2C19LMNACPB2CDC25A
SCHEMBL31157064 0.83 BLM (0.41) BLMCYP2C19LMNACPB2CDC25A
SCHEMBL31157063 0.83 BLM (0.41) BLMCYP2C19LMNACPB2CDC25A
SCHEMBL30720054 0.83 CDC25A (0.33) POLBBLMFNTAFNTBGRM2
SCHEMBL29808240 0.83 CDC25A (0.33) POLBBLMFNTAFNTBGRM2
SCHEMBL16398050 0.83 CDC25A (0.33) POLBBLMFNTAFNTBGRM2
SCHEMBL6798544 0.82 CETP (0.45) BLMCYP2C19CPB2CDC25ACETP
SCHEMBL8736020 0.81 S1PR5 (0.36) GRM2GRM3GRM4CYP1A2ALOX15

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
EP-2344443-A2 METHOD OF PREPARING OF 60% OR MORE CIS-DI(C4-C20)ALKYL CYCLOHEXANE-1,4-DICARBOXYLATE Hanwha Chemical Corporation (KR) 2011-07-20 EP disclosed
WO-2010044638-A2 METHOD OF PREPARING OF 60% OR MORE CIS-DI(C4-C20)ALKYL CYCLOHEXANE-1,4-DICARBOXYLATE HANWHA CHEMICAL CORPORATION (KR) 2010-04-22 WO disclosed