SCHEMBL19445593

SCHEMBL19445593

CC(=N)NCCC[C@@H](C)C(=O)Nc1ccc(O)c(C(C)=O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 4/20 0.41
▸ TSHR P16473 2/20 0.41
▸ MAPT P10636 2/20 0.39
▸ LMNA P02545 1/20 0.38
▸ KDM4C Q9H3R0 2/20 0.38
▸ CA1 P00915 2/20 0.38
▸ CA2 P00918 2/20 0.38
▸ CA7 P43166 2/20 0.38
▸ CA14 Q9ULX7 2/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ ALOX5 P09917 1/20 0.35
▸ PTGS2 P35354 1/20 0.35
▸ ACHE P22303 1/20 0.35

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) HSD17B10TSHRMAPTLMNAMEN1
SCHEMBL19445516 0.74 HSD17B10 (0.39) HSD17B10TSHRLMNACA1CA2
SCHEMBL14402902 0.72 KISS1R (0.39) MEN1GAAKMT2A
SCHEMBL13973873 0.71 LMNA (0.42) HSD17B10MAPTLMNAMEN1KMT2A
SCHEMBL19445551 0.71 HDAC3 (0.49) CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL19445682 0.70 SMN1; SMN2 (0.40) LMNACYP1A2CYP2C19KMT2AHTT
SCHEMBL19445573 0.70 LMNA (0.39) HSD17B10TSHRLMNAMEN1CYP1A2
SCHEMBL13973703 0.70 HSD17B10 (0.40) HSD17B10TSHRMAPTLMNACA1
SCHEMBL19445753 0.69 HSD17B10 (0.48) HSD17B10TSHRMAPTLMNACA1
SCHEMBL19445628 0.69 LMNA (0.38) MAPTLMNAMEN1KMT2ASMN1; SMN2

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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