SCHEMBL29200814

SCHEMBL29200814

CC1(C)C(C(=O)O)C1(C)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.41
TP53 P04637 1/20 0.41
NFKB1 P19838 1/20 0.41
CYP2C19 P33261 1/20 0.41
THPO P40225 1/20 0.41
STAT6 P42226 1/20 0.41
HIF1A Q16665 1/20 0.41
NPC1 O15118 1/20 0.41
GMNN O75496 1/20 0.41
LMNA P02545 1/20 0.41
MTOR P42345 1/20 0.41
RAB9A P51151 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
APLNR P35414 1/20 0.35
FFAR3 O14843 1/20 0.33

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
SCHEMBL32670777 0.77 HTT (0.43) MAPK1TP53NFKB1CYP2C19THPO
SCHEMBL1642801 0.76 MAPK1 (0.39) MAPK1TP53NFKB1CYP2C19THPO
SCHEMBL221717 0.76 APLNR (0.41) MAPK1TP53NFKB1CYP2C19THPO
SCHEMBL18173594 0.75 MAPK1 (0.35) MAPK1TP53NFKB1CYP2C19THPO
SCHEMBL11005885 0.75 APLNR (0.30) APLNR
Methane SCHEMBL3337389 0.73 APLNR (0.39) CYP2C19APLNRFFAR3
Hydrochloric Acid SCHEMBL8617904 0.73 APLNR (0.39) CYP2C19APLNRFFAR3
SCHEMBL11321430 0.72 APLNR (0.35) MAPK1TP53NFKB1CYP2C19THPO
SCHEMBL284401 0.71 APLNR (0.38) MAPK1TP53NFKB1CYP2C19THPO
SCHEMBL10508747 0.71 MAPK1 (0.44) MAPK1TP53NFKB1CYP2C19THPO

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-116332890-A Preparation method of caronic anhydride 北京博润天慧科技有限公司 2023-06-27 CN claimed
CN-116332890-A Preparation method of caronic anhydride 北京博润天慧科技有限公司 2023-06-27 CN disclosed