SCHEMBL29201838

SCHEMBL29201838

O=C(CC12CC3CC(CC(C3)C1)C2)N1CCC(CO)CC1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BPTF Q12830 1/20 0.68
HSD11B1 P28845 1/20 0.59
TSHR P16473 1/20 0.56
EPHX1 P07099 6/20 0.47
EPHX2 P34913 5/20 0.45
DPP4 P27487 3/20 0.45
ALDH1A1 P00352 4/20 0.44
HPGD P15428 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GRM1 Q13255 1/20 0.40
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 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
SCHEMBL31119839 0.80 BPTF (0.72) BPTFHSD11B1TSHREPHX1EPHX2
SCHEMBL29201782 0.78 BPTF (0.55) BPTFHSD11B1TSHREPHX1EPHX2
SCHEMBL2790543 0.77 HSD11B1 (0.62) HSD11B1TSHRALDH1A1KDM4ELMNA
SCHEMBL12204818 0.77 BPTF (0.72) BPTFHSD11B1TSHRALDH1A1KDM4E
SCHEMBL8749014 0.77 BPTF (0.72) BPTFHSD11B1TSHRALDH1A1KDM4E
SCHEMBL1713095 0.77 ALOX5 (0.44) EPHX2ALDH1A1
SCHEMBL8799134 0.76 BPTF (0.66) BPTFHSD11B1TSHREPHX1EPHX2
SCHEMBL640879 0.75 BPTF (0.70) BPTFHSD11B1TSHREPHX1DPP4
SCHEMBL8748855 0.75 BPTF (0.70) BPTFHSD11B1TSHRALDH1A1HPGD
SCHEMBL8749192 0.75 BPTF (0.70) BPTFHSD11B1TSHRALDH1A1HPGD

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