SCHEMBL28663739

SCHEMBL28663739

C=CCN1C(=O)c2cccc3c(SCCCCCCCCCCCC)ccc(c23)C1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.56
▸ ALDH1A1 P00352 2/20 0.56
▸ RXFP1 Q9HBX9 1/20 0.56
▸ MEN1 O00255 4/20 0.51
▸ KMT2A Q03164 4/20 0.51
▸ MAPK1 P28482 3/20 0.51
▸ TDP1 Q9NUW8 2/20 0.51
▸ CRHBP P24387 1/20 0.51
▸ CRHR2 Q13324 1/20 0.51
▸ CASP3 P42574 1/20 0.45
▸ USP2 O75604 3/20 0.43
▸ ATM Q13315 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ RGS12 O14924 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ TLR9 Q9NR96 1/20 0.43
▸ CYP1B1 Q16678 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41

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
SCHEMBL13829120 0.83 POLB (0.48) POLBALDH1A1MEN1KMT2AMAPK1
SCHEMBL11343907 0.83 MEN1 (0.49) POLBALDH1A1MEN1KMT2AMAPK1
Dodecane SCHEMBL28663741 0.82 POLB (0.60) POLBALDH1A1RXFP1MEN1KMT2A
SCHEMBL11345920 0.79 TYMS (0.57) FGFR1TYMSSOAT1
SCHEMBL13829100 0.79 TYMS (0.57) FGFR1TYMSSOAT1
SCHEMBL13751087 0.79 HDAC1 (0.42) POLBALDH1A1MEN1KMT2AMAPK1
SCHEMBL13829366 0.78 KMT2A (0.50) POLBALDH1A1MEN1KMT2AMAPK1
SCHEMBL18957987 0.78 MAPT (0.41) POLBALDH1A1MEN1KMT2AMAPK1
SCHEMBL12133954 0.77 POLB (0.55) POLBALDH1A1MEN1KMT2AMAPK1
SCHEMBL14434583 0.77 MEN1 (0.44) POLBMEN1KMT2AMAPK1TDP1

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-109721691-B Single-component polysiloxane photoinitiator capable of overcoming oxygen inhibition and preparation method thereof 武汉大学 2021-06-04 — — CN disclosed
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