SCHEMBL31228896

SCHEMBL31228896

CC1(C)C(=O)N(CCCN2C(=O)N(CC3CO3)C(C)(C)C2=O)C(=O)N1CC1CO1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.39
HBB P68871 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTR1A P08908 7/20 0.34
HTR7 P34969 7/20 0.34
HTR6 P50406 7/20 0.34
PLA2G7 Q13093 1/20 0.31
DHFR P00374 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL11331039 0.91 TP53 (0.35) TP53HBBSMN1; SMN2HTR1AHTR7
SCHEMBL7536756 0.89 TP53 (0.38) TP53HBBSMN1; SMN2HTR1AHTR7
SCHEMBL261620 0.89 TP53 (0.42) TP53HBBSMN1; SMN2HTR1AHTR7
SCHEMBL11756952 0.87 TP53 (0.41) TP53HBBSMN1; SMN2HTR1AHTR7
SCHEMBL11342172 0.87 TSHR (0.41) TP53HBBSMN1; SMN2HTR1AHTR7
SCHEMBL24507049 0.84 TP53 (0.39) TP53HBBSMN1; SMN2HTR1AHTR7
SCHEMBL11390391 0.83 TSHR (0.37) TP53HBBSMN1; SMN2HTR1AHTR7
SCHEMBL10754802 0.83 RAB9A (0.34) TP53HBBSMN1; SMN2RAB9A
SCHEMBL11824827 0.82 NR1H2 (0.30) HTR1AHTR7HTR6
SCHEMBL11827895 0.81 TP53 (0.32) TP53HBBSMN1; SMN2

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-114981332-B Two-part curable composition 汉高股份有限及两合公司 2024-12-31 CN disclosed