SCHEMBL29347277

SCHEMBL29347277

C=CCNC1(C)C(=O)N(CC(=O)OCc2ccccc2)c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.42
LMNA P02545 4/20 0.41
ALDH3A1 P30838 2/20 0.41
ALDH2 P05091 1/20 0.41
OPRL1 P41146 5/20 0.39
TP53 P04637 2/20 0.39
THRB P10828 1/20 0.39
MAPT P10636 2/20 0.39
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL31748131 1.00 ALDH1A1 (0.42) ALDH1A1LMNAALDH3A1ALDH2OPRL1
SCHEMBL15156486 0.80 TP53 (0.52) ALDH1A1LMNAALDH3A1ALDH2OPRL1
SCHEMBL9543551 0.74 OPRL1 (0.48) ALDH1A1LMNAOPRL1L3MBTL1
SCHEMBL31748066 0.71 TSHR (0.40) ALDH1A1LMNATP53TSHRSMN1; SMN2
SCHEMBL9544593 0.69 OPRL1 (0.50) ALDH1A1LMNAOPRL1L3MBTL1
SCHEMBL31729969 0.69 ALDH1A1 (0.41) ALDH1A1LMNAALDH3A1ALDH2OPRL1
SCHEMBL9774461 0.68 TDP1 (0.42) ALDH1A1LMNAALDH3A1ALDH2OPRL1
SCHEMBL17830714 0.67 PTGDR2 (0.51)
SCHEMBL3190305 0.67 CNR1 (0.45) ALDH1A1LMNATP53MAPTSMN1; SMN2
SCHEMBL1901777 0.66 ALDH1A1 (0.53) ALDH1A1LMNAL3MBTL1

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
WO-2024150815-A1 CEREBLON E3 LIGASE BINDING COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND PRODUCTION METHOD THEREFOR 田辺三菱製薬株式会社 2024-07-18 WO disclosed