SCHEMBL24372161

SCHEMBL24372161

C=C/C=C1\C(=N)c2ncccc2C1(CCC(=O)OC)CC1(CCC(=O)OC)c2cccnc2-c2ncccc21

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ LMNA P02545 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
SCHEMBL24349728 0.84 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2LMNA
SCHEMBL24349336 0.79 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2LMNA
SCHEMBL24372159 0.76 KMT2A (0.46) ALDH1A1SMN1; SMN2LMNA
SCHEMBL24350382 0.75 KMT2A (0.45) ALDH1A1SMN1; SMN2LMNA
SCHEMBL24349770 0.72 LMNA (0.41) ALDH1A1SMN1; SMN2LMNA
SCHEMBL24349732 0.71 TP53 (0.39) ALDH1A1SMN1; SMN2LMNA
SCHEMBL24350119 0.71 KMT2A (0.48) ALDH1A1SMN1; SMN2LMNA
SCHEMBL24349764 0.69 CYP19A1 (0.40) ALDH1A1LMNA
SCHEMBL24349729 0.69 APEX1 (0.51) ALDH1A1SMN1; SMN2
SCHEMBL24349317 0.67 LMNA (0.43) ALDH1A1SMN1; SMN2LMNA

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
EP-3988599-A1 THERMOPLASTIC RESIN, OPTICAL FILM MADE THEREFROM, DIOL COMPOUND, DIESTER COMPOUND Mitsubishi Chemical Corporation (JP) 2022-04-27 — — EP disclosed
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