SCHEMBL31035953

SCHEMBL31035953

CCC(=O)NCCCCCCCCCO

nearest known ligand 0.82

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.77
KMT2A Q03164 1/20 0.77
NAAA Q02083 1/20 0.59
CASP2 P42575 1/20 0.52
TDP1 Q9NUW8 1/20 0.50
ALDH1A1 P00352 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CNR1 P21554 1/20 0.47
ACHE P22303 6/20 0.47
EPHX1 P07099 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPK1 P28482 1/20 0.46
HIF1A Q16665 1/20 0.46

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
SCHEMBL8147622 1.00 MEN1 (0.77) MEN1KMT2ANAAACASP2TDP1
SCHEMBL8162651 1.00 MEN1 (0.77) MEN1KMT2ANAAACASP2TDP1
SCHEMBL8162613 0.98 MEN1 (0.81) MEN1KMT2ANAAACASP2TDP1
SCHEMBL311295 0.91
SCHEMBL21765846 0.91 MEN1 (0.94) MEN1KMT2ANAAACASP2ALDH1A1
SCHEMBL9259257 0.91 MEN1 (0.94) MEN1KMT2ANAAACASP2ALDH1A1
SCHEMBL11758762 0.91 MEN1 (0.94) MEN1KMT2ANAAACASP2ALDH1A1
SCHEMBL17229157 0.88 MEN1 (1.00) MEN1KMT2ANAAACASP2ALDH1A1
SCHEMBL8209020 0.84 MEN1 (0.81) MEN1KMT2ANAAACASP2EPHX1
SCHEMBL10866272 0.84 MEN1 (0.81) MEN1KMT2ANAAACASP2EPHX1

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-118255685-A Tricyclic compound, pharmaceutical composition and application thereof 珂阑(上海)医药科技有限公司 2024-06-28 CN disclosed