SCHEMBL1704751

SCHEMBL1704751

CCCCCCC(C)OC(=O)c1ccc(C(=O)OC(C)CCCCCC)cc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.64
TSHR P16473 1/20 0.54
FAAH O00519 5/20 0.51
CNR1 P21554 1/20 0.50
CNR2 P34972 1/20 0.50
KDM4E B2RXH2 1/20 0.49
KMT2A Q03164 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MAPT P10636 2/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
PNLIP P16233 2/20 0.45
NAAA Q02083 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44

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
SCHEMBL7131132 0.95 ALDH1A1 (0.59) ALDH1A1TSHRFAAHCNR1CNR2
SCHEMBL7121088 0.95 ALDH1A1 (0.59) ALDH1A1TSHRFAAHCNR1CNR2
SCHEMBL7129914 0.95 ALDH1A1 (0.59) ALDH1A1TSHRFAAHCNR1CNR2
SCHEMBL9493320 0.95 ALDH1A1 (0.59) ALDH1A1TSHRFAAHCNR1CNR2
SCHEMBL7131644 0.95 ALDH1A1 (0.59) ALDH1A1TSHRFAAHCNR1CNR2
SCHEMBL14273580 0.95 ALDH1A1 (0.59) ALDH1A1TSHRFAAHCNR1CNR2
SCHEMBL17897419 0.95 ALDH1A1 (0.59) ALDH1A1TSHRFAAHCNR1CNR2
SCHEMBL7127663 0.95 ALDH1A1 (0.59) ALDH1A1TSHRFAAHCNR1CNR2
SCHEMBL7129328 0.95 ALDH1A1 (0.59) ALDH1A1TSHRFAAHCNR1CNR2
SCHEMBL9297228 0.95 ALDH1A1 (0.59) ALDH1A1TSHRFAAHCNR1CNR2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112675916-A Application of metal organic framework material as catalyst in preparation of plasticizer 同济大学 2021-04-20 CN claimed
US-7208545-B1 Selected cyclohexane -1,3-and -1,4-dicarboxylic acid esters BASF AKTIENGESELLSCHAFT (DE) 2007-04-24 US claimed
EP-1194396-B1 SELECTED CYCLOHEXANE-1,3- AND 1,4-DICARBOXYLIC ACID ESTERS BASF AG (DE) 2005-11-09 EP claimed
JP-57174374-A None JP disclosed
CN-112675916-A Application of metal organic framework material as catalyst in preparation of plasticizer 同济大学 2021-04-20 CN disclosed
EP-2440390-A1 METHOD OF DELIVERING A THERMOPLASTIC AND/OR CROSSLINKING RESIN TO A COMPOSITE LAMINATE STRUCTURE Spunfab, Ltd. (US) 2012-04-18 EP disclosed
WO-2010144134-A1 METHOD OF DELIVERING A THERMOPLASTIC AND/OR CROSSLINKING RESIN TO A COMPOSITE LAMINATE STRUCTURE SPUNFAB, LTD (US) 2010-12-16 WO disclosed
US-7208545-B1 Selected cyclohexane -1,3-and -1,4-dicarboxylic acid esters BASF AKTIENGESELLSCHAFT (DE) 2007-04-24 US disclosed
JP-S57174374-A LIQUID CRYSTAL COMPOSITION HITACHI LTD 1982-10-27 JP disclosed