SCHEMBL19445573

SCHEMBL19445573

C=C(N)NCCCC[C@@H](C)C(=O)Nc1ccc(OC)c(C(C)=O)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ POLB P06746 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.37
▸ QPCT Q16769 2/20 0.37
▸ ALDH1A1 P00352 6/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ KMT2A Q03164 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36

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
SCHEMBL19445763 0.84 LMNA (0.40) LMNASMN1; SMN2POLBHSD17B10QPCT
SCHEMBL19445753 0.82 HSD17B10 (0.48) LMNASMN1; SMN2HSD17B10KDM4ETSHR
SCHEMBL19445591 0.81 TSHR (0.39) LMNAALDH1A1KDM4ETSHRKMT2A
SCHEMBL13973873 0.79 LMNA (0.42) LMNASMN1; SMN2POLBHSD17B10QPCT
SCHEMBL15317942 0.78 LMNA (0.46) LMNASMN1; SMN2HSD17B10ALDH1A1KDM4E
SCHEMBL13815093 0.76 AAK1 (0.43) LMNAPOLB
SCHEMBL19445628 0.75 LMNA (0.38) LMNASMN1; SMN2POLBQPCTKDM4E
SCHEMBL13319568 0.74 SUV39H2 (0.51) —
SCHEMBL13815091 0.73 AAK1 (0.48) —
SCHEMBL19445850 0.72 NPC1 (0.42) LMNASMN1; SMN2POLBHSD17B10ALDH1A1

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
EP-2709619-B1 COMPOUNDS FOR USE IN TREATMENT OF MUCOSITIS CELLCEUTIX CORP (US) 2017-10-11 — — EP disclosed
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