SCHEMBL31296907

SCHEMBL31296907

CC(C)COC(=O)C1=C(C(=O)OCC(C)C)C2CCC1CC2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
TSHR P16473 3/20 0.50
MAPT P10636 1/20 0.40
CACNA1F O60840 3/20 0.40
CACNA1D Q01668 3/20 0.40
CACNA1S Q13698 3/20 0.40
CACNA1C Q13936 3/20 0.40
RAB9A P51151 2/20 0.40
GAA P10253 2/20 0.40
TP53 P04637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 2/20 0.40
NPC1 O15118 1/20 0.40
ADORA2B P29275 4/20 0.39
ADORA1 P30542 1/20 0.39
MCL1 Q07820 1/20 0.39
ALOX12 P18054 1/20 0.38
POLB P06746 1/20 0.38
HSP90AA1 P07900 1/20 0.37

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
SCHEMBL13517497 0.92 ALDH1A1 (0.47) ALDH1A1TSHRMAPTCACNA1FCACNA1D
SCHEMBL13517498 0.86 TSHR (0.42) ALDH1A1TSHRMAPTCACNA1FCACNA1D
SCHEMBL31296905 0.79 ALDH1A1 (0.50) ALDH1A1TSHRMAPTCACNA1FCACNA1D
SCHEMBL13518324 0.78 HSP90AA1 (0.43) ALDH1A1TSHRMAPTCACNA1FCACNA1D
SCHEMBL31296902 0.78 ALDH1A1 (0.39) ALDH1A1TSHRMAPTCACNA1FCACNA1D
SCHEMBL13517021 0.77 ALDH1A1 (0.44) ALDH1A1TSHRMAPTCACNA1FCACNA1D
SCHEMBL819307 0.77 ALDH1A1 (0.44) ALDH1A1TSHRMAPTCACNA1FCACNA1D
SCHEMBL13822474 0.76 TSHR (0.47) ALDH1A1TSHRMAPTCACNA1FCACNA1D
SCHEMBL31296900 0.76 LMNA (0.50) ALDH1A1TSHRMAPTRAB9AGAA
SCHEMBL13517643 0.75 ALDH1A1 (0.50) ALDH1A1TSHRMAPTCACNA1FCACNA1D

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-119390575-A Maleic acid ester compound, preparation method thereof and application thereof in olefin catalytic polymerization 山东京博聚烯烃新材料有限公司 2025-02-07 CN disclosed