SCHEMBL28533045

SCHEMBL28533045

C=CC(=O)OC(C)C(O)COC(CC)CCCCCCC

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
ABCB1 P08183 1/20 0.38
GPR84 Q9NQS5 3/20 0.36
FFAR1 O14842 1/20 0.36
HPGD P15428 1/20 0.36
MAPT P10636 2/20 0.35
ACE2 Q9BYF1 1/20 0.34
SPHK1 Q9NYA1 1/20 0.33
FAAH O00519 2/20 0.33
PRKCA P17252 1/20 0.33
PRKCD Q05655 1/20 0.33
LCK P06239 1/20 0.33
PPARD Q03181 1/20 0.33
ZDHHC20 Q5W0Z9 1/20 0.33
ZDHHC2 Q9UIJ5 1/20 0.33
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 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
SCHEMBL28519709 1.00 TSHR (0.42) TSHRABCB1GPR84FFAR1HPGD
SCHEMBL28526120 1.00 TSHR (0.42) TSHRABCB1GPR84FFAR1HPGD
SCHEMBL28528998 1.00 TSHR (0.42) TSHRABCB1GPR84FFAR1HPGD
SCHEMBL28532328 0.99 TSHR (0.43) TSHRABCB1GPR84FFAR1HPGD
SCHEMBL28519712 0.89 TSHR (0.39) TSHRHPGDPRKCAPRKCD
SCHEMBL6046850 0.80 TSHR (0.49) TSHRGPR84FFAR1HPGDMAPT
SCHEMBL11460175 0.80 TSHR (0.49) TSHRGPR84FFAR1HPGDMAPT
SCHEMBL665164 0.80 TSHR (0.49) TSHRGPR84FFAR1HPGDMAPT
SCHEMBL3800763 0.80 TSHR (0.49) TSHRGPR84FFAR1HPGDMAPT
SCHEMBL4418169 0.80 TSHR (0.49) TSHRGPR84FFAR1HPGDMAPT

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-109641432-B Antifogging laminate 三井化学株式会社 2021-03-09 CN disclosed