SCHEMBL31250412

SCHEMBL31250412

CCOC(=O)c1cc2cc(CP(=O)(OCC)OCC)ccc2n1C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NOD2 Q9HC29 2/20 0.40
▸ NOD1 Q9Y239 2/20 0.40
▸ NR1H2 P55055 13/20 0.38
▸ NR1H3 Q13133 3/20 0.36
▸ MAPT P10636 2/20 0.35
▸ F10 P00742 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ CRHBP P24387 1/20 0.33
▸ CRHR2 Q13324 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ HTT P42858 1/20 0.33

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
SCHEMBL22468625 1.00 NOD2 (0.40) NOD2NOD1NR1H2NR1H3MAPT
SCHEMBL25308409 0.90 NR1H2 (0.39) NR1H2NR1H3
SCHEMBL12042731 0.84 CYP4F2 (0.43) NOD2NOD1NR1H2NR1H3MAPT
SCHEMBL30527551 0.82 NOD2 (0.34) NOD2NOD1NR1H2NR1H3MAPT
SCHEMBL25260653 0.82 NOD2 (0.34) NOD2NOD1NR1H2NR1H3MAPT
SCHEMBL12042732 0.81 NOD2 (0.52) NOD2NOD1NR1H2MAPTKDM4E
SCHEMBL12042743 0.81 KDM1A (0.41) NOD2NOD1MAPTF10KDM4E
SCHEMBL3030334 0.80 NOD2 (0.46) NOD2NOD1NR1H2MAPTKDM4E
SCHEMBL21685569 0.79 NOD2 (0.45) NOD2NOD1NR1H2MAPTKDM4E
SCHEMBL1313682 0.79 NOD2 (0.45) NOD2NOD1NR1H2NR1H3MAPT

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-118804917-A STAT modulators and uses thereof 瑞克鲁迪克斯制药股份有限公司 2024-10-18 — — CN disclosed
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