SCHEMBL13645033

SCHEMBL13645033

CNC(=O)CN(CC(=O)O)c1cccc(C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.43
▸ ALDH1A1 P00352 8/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ GFER P55789 1/20 0.41
▸ RAB9A P51151 4/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ PAX8 Q06710 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ JAK2 O60674 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ USP2 O75604 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ GPX4 P36969 1/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ SLC6A2 P23975 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39

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
SCHEMBL2808762 0.89 ALDH1A1 (0.48) ALDH1A1HSD17B10GFERRAB9ANPC1
SCHEMBL13644997 0.85 ALDH1A1 (0.44) POLBALDH1A1GFERRAB9ANPC1
SCHEMBL13644988 0.85 POLB (0.54) POLBALDH1A1RAB9ANPC1HTT
SCHEMBL28549745 0.84 ALDH1A1 (0.47) ALDH1A1HSD17B10GFERRAB9ANPC1
SCHEMBL13645030 0.84 OPRM1 (0.44) POLBALDH1A1RAB9ANPC1KMT2A
SCHEMBL13644978 0.84 MAPT (0.44) ALDH1A1NPC1HTTNPSR1KMT2A
SCHEMBL13603837 0.82 TSHR (0.42) ALDH1A1HSD17B10GFERRAB9ANPC1
SCHEMBL13645027 0.82 ALOX15 (0.46) ALDH1A1HSD17B10GFERRAB9ANPC1
SCHEMBL13645015 0.79 NPSR1 (0.60) POLBRAB9ANPC1SMN1; SMN2USP2
SCHEMBL13645003 0.78 CYP1A2 (0.41) ALDH1A1RAB9ANPC1SMN1; SMN2KMT2A

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
US-20090246700-A1 PLATE-MAKING METHOD OF LITHOGRAPHIC PRINTING PLATE PRECURSOR FUJIFILM CORPORATION (JP) 2009-10-01 — — US disclosed
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