SCHEMBL24372357

SCHEMBL24372357

O=C(O)CC1(CC(=O)O)c2ccccc2-c2ncccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.51
▸ CYP1A2 P05177 2/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ PDK2 Q15119 3/20 0.49
▸ GAA P10253 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ APEX1 P27695 1/20 0.46
▸ CDC25B P30305 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ PTPRC P08575 2/20 0.39
▸ CTSL P07711 1/20 0.39
▸ CTSS P25774 1/20 0.39
▸ PTPN13 Q12923 1/20 0.39
▸ PKM P14618 1/20 0.38
▸ TDP2 O95551 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
SCHEMBL24349733 0.94 KMT2A (0.49) KMT2ACYP1A2CYP2C19PDK2GAA
SCHEMBL24350118 0.85 APEX1 (0.69) KMT2ACYP1A2CYP2C19PDK2GAA
SCHEMBL24349760 0.83 CYP1A2 (0.45) KMT2ACYP1A2CYP2C19PDK2GAA
SCHEMBL24350116 0.82 KMT2A (0.50) KMT2ACYP1A2CYP2C19PDK2GAA
SCHEMBL24349723 0.82 APEX1 (0.60) KMT2ACYP1A2CYP2C19PDK2GAA
SCHEMBL24349727 0.82 KDM4E (0.43) KMT2ACYP1A2CYP2C19PDK2GAA
SCHEMBL29506890 0.81 APEX1 (0.66) KMT2ACYP1A2CYP2C19PDK2APEX1
SCHEMBL15531786 0.81 APEX1 (0.66) KMT2ACYP1A2CYP2C19PDK2APEX1
SCHEMBL24350121 0.79 PDK2 (0.52) KMT2ACYP1A2CYP2C19PDK2GAA
SCHEMBL24372294 0.78 CYP1A2 (0.43) KMT2ACYP1A2CYP2C19PDK2GAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3988599-B1 THERMOPLASTIC RESIN, OPTICAL FILM MADE THEREFROM, DIOL COMPOUND, DIESTER COMPOUND MITSUBISHI CHEM CORP (JP) 2023-10-18 — — EP disclosed
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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