SCHEMBL5689884

SCHEMBL5689884

C=CCC(C(=O)OCCC)C(=O)OCCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.39
HPGD P15428 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
ALDH1A1 P00352 6/20 0.34
LMNA P02545 1/20 0.33
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 2/20 0.33
ESR1 P03372 1/20 0.32
CHRM1 P11229 1/20 0.32
SLC6A2 P23975 1/20 0.32
KDR P35968 1/20 0.32
DGKA P23743 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
CASP1 P29466 1/20 0.32
KPNA2 P52292 1/20 0.32
CASP7 P55210 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL5689545 0.88 TSHR (0.55) TSHRHPGDHCAR2ALDH1A1ATM
Butane SCHEMBL18797012 0.83 TSHR (0.39) TSHRHPGDHCAR2ALDH1A1LMNA
SCHEMBL793641 0.83 ALDH1A1 (0.40) TSHRHCAR2ALDH1A1LMNATDP1
SCHEMBL11520161 0.82 TSHR (0.38) TSHRHPGDHCAR2ALDH1A1LMNA
SCHEMBL28201180 0.80 PLA2G2C (0.40) TSHRHPGDHCAR2ALDH1A1LMNA
SCHEMBL15218038 0.80 TSHR (0.50) TSHRHPGDHCAR2ALDH1A1ATM
SCHEMBL10810065 0.79 TDP1 (0.30) TDP1
SCHEMBL27792242 0.76 HCAR2 (0.37) TSHRHCAR2ALDH1A1LMNAATM
SCHEMBL27863535 0.76 TSHR (0.44) TSHRALDH1A1LMNATDP1GAA
SCHEMBL15902765 0.76 HCAR2 (0.38) TSHRHPGDHCAR2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118108878-A Organic polymer carrier and preparation method and application thereof 中国石油天然气股份有限公司 2024-05-31 CN claimed
CN-118108878-A Organic polymer carrier and preparation method and application thereof 中国石油天然气股份有限公司 2024-05-31 CN disclosed
US-20170200976-A1 NON-AQUEOUS ELECTROLYTIC SOLUTION AND NON-AQUEOUS ELECTROLYTE SECONDARY BATTERY USING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2017-07-13 US disclosed
US-20170200976-A1 NON-AQUEOUS ELECTROLYTIC SOLUTION AND NON-AQUEOUS ELECTROLYTE SECONDARY BATTERY USING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2017-07-13 US disclosed
EP-1631645-A1 FUEL COMPOUND EXHIBITING IMPROVED COLD FLOW PROPERTIES BASF AKTIENGESELLSCHAFT (DE) 2006-03-08 EP disclosed
WO-2004106470-A1 FUEL COMPOUND EXHIBITING IMPROVED COLD FLOW PROPERTIES BASF AKTIENGESELLSCHAFT (DE) 2004-12-09 WO disclosed