SCHEMBL29201782

SCHEMBL29201782

COS(=O)(=O)CC1CCN(C(=O)CC23CC4CC(CC(C4)C2)C3)CC1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BPTF Q12830 1/20 0.55
HSD11B1 P28845 1/20 0.52
TSHR P16473 1/20 0.44
EPHX1 P07099 11/20 0.43
EPHX2 P34913 10/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
DPP4 P27487 2/20 0.39

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
SCHEMBL29201838 0.78 BPTF (0.68) BPTFHSD11B1TSHREPHX1EPHX2
SCHEMBL29265199 0.78 EPHX2 (0.42) EPHX1EPHX2ALDH1A1
SCHEMBL23277543 0.74 EPHX2 (0.38) EPHX1EPHX2ALDH1A1MAPT
SCHEMBL29265195 0.71 MAPT (0.48) TSHRALDH1A1MAPTSMN1; SMN2NPSR1
SCHEMBL28429128 0.70 TEAD1 (0.45) ALDH1A1
SCHEMBL7442420 0.69 GPR119 (0.49) EPHX1HPGDSMN1; SMN2
SCHEMBL8749014 0.68 BPTF (0.72) BPTFHSD11B1TSHRALDH1A1LMNA
SCHEMBL31119839 0.68 BPTF (0.72) BPTFHSD11B1TSHREPHX1EPHX2
SCHEMBL12204818 0.68 BPTF (0.72) BPTFHSD11B1TSHRALDH1A1LMNA
SCHEMBL8799134 0.68 BPTF (0.66) BPTFHSD11B1TSHREPHX1EPHX2

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-117447466-A Oxazole compound and preparation method and application thereof 中国科学院上海药物研究所 2024-01-26 CN disclosed