SCHEMBL10644092

SCHEMBL10644092

CCN1CCN(C(=O)NCC(=O)[N]c2ccccc2)C(=O)C1=O

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ BRD4 O60885 1/20 0.33
▸ KMT2A Q03164 1/20 0.32
▸ FKBP1A P62942 1/20 0.31
▸ CACNA1G O43497 2/20 0.31
▸ CACNA1H O95180 2/20 0.31
▸ CACNA1I Q9P0X4 2/20 0.31
▸ RBP4 P02753 1/20 0.31
▸ LIPG Q9Y5X9 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ ALDH1A1 P00352 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
SCHEMBL11225104 0.79 GAA (0.42) HDAC1HDAC2POLBKDM4EGAA
SCHEMBL22515644 0.78 KDM4E (0.57) HDAC1HDAC2KDM4EGAAKMT2A
SCHEMBL10546411 0.73 KMT2A (0.41) HDAC1HDAC2POLBGAASMN1; SMN2
SCHEMBL8597022 0.72 ATM (0.42) POLBKMT2ARBP4
SCHEMBL10402214 0.72 GAA (0.40) HDAC1HDAC2POLBGAAL3MBTL1
Water SCHEMBL8600954 0.72 ATM (0.42) POLBKMT2ARBP4
SCHEMBL24044262 0.71 GAA (0.42) HDAC1HDAC2POLBGAAL3MBTL1
SCHEMBL10404631 0.71 GAA (0.39) HDAC1HDAC2POLBGAAL3MBTL1
SCHEMBL24454930 0.71 POLB (0.38) HDAC1HDAC2POLBKDM4EGAA
SCHEMBL10265114 0.71 ALDH1A1 (0.48) KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0253337-A2 Tricyclic cepham compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1988-01-20 — — EP disclosed
EP-0219923-A1 Antibiotic derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1987-04-29 — — EP disclosed
EP-0191989-A1 Antibiotic isoxazole derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1986-08-27 — — EP disclosed
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