SCHEMBL29220281

SCHEMBL29220281

C=CC(C)C(C(=O)OCCC)C(=O)OCCC

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.38
HPGD P15428 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38
ALDH1A1 P00352 5/20 0.37
LMNA P02545 2/20 0.36
MAPK1 P28482 1/20 0.33
ATM Q13315 1/20 0.32
TDP1 Q9NUW8 2/20 0.32
ESR1 P03372 1/20 0.32
CHRM1 P11229 1/20 0.32
SLC6A2 P23975 1/20 0.32
KDR P35968 1/20 0.32
MAPT P10636 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSD17B10 Q99714 2/20 0.30
GAA P10253 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL29220169 0.89 TSHR (0.53) TSHRHPGDHCAR2ALDH1A1MAPK1
SCHEMBL2203251 0.83 ALDH1A1 (0.42) TSHRHPGDHCAR2ALDH1A1LMNA
SCHEMBL16504446 0.79 TSHR (0.41) TSHRHPGDHCAR2ALDH1A1LMNA
SCHEMBL29220157 0.78 TSHR (0.55) TSHRHPGDALDH1A1LMNATDP1
SCHEMBL6062574 0.76 HCAR2 (0.40) TSHRHCAR2ALDH1A1LMNAMAPK1
SCHEMBL19552359 0.75 TSHR (0.45) TSHRHPGDHCAR2ALDH1A1LMNA
SCHEMBL11860438 0.74 ALDH1A1 (0.43) TSHRHPGDALDH1A1LMNAMAPT
SCHEMBL11865103 0.74 SMN1; SMN2 (0.50) TSHRHCAR2ALDH1A1SMN1; SMN2
SCHEMBL28303366 0.73 TSHR (0.39) TSHRHPGDHCAR2ALDH1A1LMNA
SCHEMBL19105389 0.72 HCAR2 (0.38) TSHRHCAR2ALDH1A1LMNAMAPK1

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-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