SCHEMBL28313121

SCHEMBL28313121

O=C(O)CCCC(=O)OC(=O)CCCCCC(=O)OC(=O)CCCC(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.63
LMNA P02545 3/20 0.63
NFKB1 P19838 1/20 0.63
PMP22 Q01453 1/20 0.63
SLC22A6 Q4U2R8 2/20 0.58
GPR84 Q9NQS5 8/20 0.52
FFAR1 O14842 2/20 0.52
FFAR4 Q5NUL3 2/20 0.52
PPARG P37231 6/20 0.50
PPARD Q03181 6/20 0.50
PPARA Q07869 6/20 0.50
HDAC11 Q96DB2 5/20 0.50
ALDH1A1 P00352 4/20 0.50
TLR2 O60603 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
MEN1 O00255 2/20 0.50
FABP4 P15090 2/20 0.50
ALOX15 P16050 2/20 0.50
PTPN1 P18031 2/20 0.50
KMT2A Q03164 2/20 0.50

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
SCHEMBL10453763 1.00 TSHR (0.63) TSHRLMNANFKB1PMP22SLC22A6
SCHEMBL11520278 1.00 TSHR (0.63) TSHRLMNANFKB1PMP22SLC22A6
SCHEMBL28347222 1.00 TSHR (0.63) TSHRLMNANFKB1PMP22SLC22A6
SCHEMBL753779 1.00 TSHR (0.63) TSHRLMNANFKB1PMP22SLC22A6
SCHEMBL1389254 1.00 TSHR (0.63) TSHRLMNANFKB1PMP22SLC22A6
SCHEMBL26605350 1.00 TSHR (0.63) TSHRLMNANFKB1PMP22SLC22A6
Ammonia Solution, Strong SCHEMBL28812257 0.97 TSHR (0.60) TSHRLMNANFKB1PMP22SLC22A6
Succinic Acid SCHEMBL29096149 0.97 TSHR (0.60) TSHRLMNANFKB1PMP22SLC22A6
SCHEMBL10456449 0.97 TSHR (0.67) TSHRLMNANFKB1PMP22SLC22A6
SCHEMBL2724297 0.97 TSHR (0.67) TSHRLMNANFKB1PMP22SLC22A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110126036-A A kind of rodlike stalk micron particles and preparation method thereof 中国科学院理化技术研究所 2019-08-16 CN disclosed