SCHEMBL29157159

SCHEMBL29157159

CC(C)OC(=O)C1(C(=O)OC(C)C)CC(Oc2ccccc2)C1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
TSHR P16473 2/20 0.38
FFAR1 O14842 2/20 0.37
ABHD6 Q9BV23 2/20 0.37
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
HRH1 P35367 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM3 P20309 1/20 0.36
MAPT P10636 1/20 0.36
HDAC4 P56524 2/20 0.36
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35

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
SCHEMBL29157180 0.94 SLC6A2 (0.38) SLC6A2SLC6A3TSHRFFAR1ABHD6
SCHEMBL29157190 0.80 GAA (0.40)
SCHEMBL4310339 0.78 TSHR (0.45) TSHRFFAR1GRIN2B
SCHEMBL31716318 0.74 HTT (0.36) TSHRPDCD1CD274
SCHEMBL28699610 0.73 TSHR (0.43) TSHRFFAR1GRIN2B
SCHEMBL26365753 0.72 TSHR (0.33) TSHR
SCHEMBL32674217 0.69 TSHR (0.37) TSHR
SCHEMBL4317544 0.69 TSHR (0.37) TSHR
SCHEMBL28885401 0.69 KDM1A (0.41) TSHRPDCD1CD274MAPT
SCHEMBL26134036 0.68 ALDH1A1 (0.30) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117551037-A Compounds as succinate dehydrogenase inhibitors and uses thereof 华东理工大学 2024-02-13 CN disclosed