SCHEMBL28047872

SCHEMBL28047872

COC(=O)CCC(=O)OC=C(C)C

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.59
LMNA P02545 3/20 0.43
KDM4E B2RXH2 1/20 0.43
MGAM O43451 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
ALDH1A1 P00352 4/20 0.42
KMT2A Q03164 2/20 0.42
HSD17B10 Q99714 2/20 0.42
HTT P42858 2/20 0.42
MAPT P10636 1/20 0.42
MEN1 O00255 1/20 0.40
CA12 O43570 1/20 0.39
CA14 Q9ULX7 1/20 0.39
RECQL P46063 1/20 0.34
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL446877 0.91 TSHR (0.41) TSHRLMNAKDM4EMGAMGAA
SCHEMBL848574 0.82 PHF8 (0.45) TSHRLMNAKDM4EALDH1A1
SCHEMBL8916573 0.80 MGAM (0.38) TSHRMGAMGAASIMGAM2
SCHEMBL28503090 0.80 PHF8 (0.43) TSHRLMNAKDM4EALDH1A1
SCHEMBL28049493 0.80 TSHR (0.33) TSHRKMT2AMEN1POLB
SCHEMBL28746797 0.80 TSHR (0.33) TSHR
SCHEMBL5690184 0.80 TSHR (0.33) TSHRMGAMGAASIMGAM2
SCHEMBL28236422 0.79 SQLE (0.31) TSHR
SCHEMBL28296514 0.79 ALDH1A1 (0.50) TSHRLMNAALDH1A1MAPT
SCHEMBL8951891 0.78 FFAR3 (0.39) TSHR

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
CN-105316049-B The solvable quaternary ammonium carboxylate of alkyl and the fuel composition containing them 雅富顿化学公司 2018-06-15 CN disclosed
CN-105316049-A Hydrocarbyl soluble quaternary ammonium carboxylates and fuel compositions containing them AFTON CHEMICAL CORP 2016-02-10 CN disclosed