SCHEMBL29131058

SCHEMBL29131058

O=C(NC1CCOCC1)C1CC1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.57
EPHX2 P34913 3/20 0.43
GAA P10253 3/20 0.42
LMNA P02545 2/20 0.42
L3MBTL1 Q9Y468 3/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 4/20 0.40
MAPK1 P28482 1/20 0.40
BTK Q06187 1/20 0.39
TSHR P16473 1/20 0.39
NAMPT P43490 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ACKR3 P25106 1/20 0.38

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
SCHEMBL8212728 0.90 POLB (0.48) POLBEPHX2GAALMNAL3MBTL1
SCHEMBL12820384 0.89 POLB (0.47) POLBEPHX2GAALMNAL3MBTL1
SCHEMBL3861495 0.86 POLB (0.69) POLBEPHX2GAALMNABTK
SCHEMBL12832274 0.85 EPHX2 (0.56) EPHX2GAALMNAL3MBTL1ALDH1A1
SCHEMBL30282890 0.84 POLB (0.50) POLBEPHX2GAALMNAL3MBTL1
SCHEMBL103961 0.83
SCHEMBL13275171 0.82 SMYD3 (0.48) POLBEPHX2GAALMNAALDH1A1
Hydrochloric Acid SCHEMBL21640247 0.82 POLB (0.48) POLBEPHX2GAALMNAL3MBTL1
SCHEMBL15404684 0.82 POLB (0.40) POLBEPHX2GAALMNAHSD17B10
SCHEMBL12526000 0.82 SMYD3 (0.48) POLBEPHX2GAALMNAALDH1A1

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-113698395-B Transforming growth factor receptor antagonist, preparation method and application thereof 赛诺哈勃药业(成都)有限公司 2023-12-08 CN disclosed