SCHEMBL19445753

SCHEMBL19445753

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

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 3/20 0.48
▸ TSHR P16473 1/20 0.48
▸ LMNA P02545 3/20 0.44
▸ SLC22A1 O15245 1/20 0.44
▸ ADRB2 P07550 1/20 0.44
▸ ADRB1 P08588 1/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ AAK1 Q2M2I8 2/20 0.44
▸ KDM4E B2RXH2 2/20 0.43
▸ FAAH O00519 1/20 0.43
▸ F11 P03951 1/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ MAPT P10636 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CA14 Q9ULX7 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
SCHEMBL19445763 0.85 LMNA (0.40) HSD17B10TSHRLMNASLC22A1ADRB2
SCHEMBL19445573 0.82 LMNA (0.39) HSD17B10TSHRLMNAKDM4EMEN1
SCHEMBL15317942 0.79 LMNA (0.46) HSD17B10TSHRLMNAAAK1KDM4E
SCHEMBL19445591 0.78 TSHR (0.39) TSHRLMNAKDM4EMEN1KMT2A
SCHEMBL13815091 0.77 AAK1 (0.48) AAK1
SCHEMBL7563176 0.77 LMNA (0.61) HSD17B10LMNASLC22A1ADRB2ADRB1
SCHEMBL13319568 0.76 SUV39H2 (0.51) AAK1
SCHEMBL130408 0.75 ALDH1A1 (0.64) LMNAKDM4EMEN1KMT2AMAPT
SCHEMBL13973873 0.75 LMNA (0.42) HSD17B10LMNAKDM4EMEN1KMT2A
SCHEMBL12444284 0.75 ALDH1A1 (0.45) HSD17B10LMNAKDM4EFAAHMEN1

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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