SCHEMBL13568688

SCHEMBL13568688

CC(=O)c1ccc2oc(-c3ccc4c(c3)OCO4)nc2c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 5/20 0.75
▸ KDM4E B2RXH2 7/20 0.60
▸ HPGD P15428 5/20 0.60
▸ ALDH1A1 P00352 5/20 0.60
▸ HSD17B10 Q99714 4/20 0.60
▸ TP53 P04637 4/20 0.60
▸ SMN1; SMN2 Q16637 3/20 0.60
▸ PPARG P37231 3/20 0.60
▸ GAA P10253 2/20 0.60
▸ NR2E3 Q9Y5X4 2/20 0.60
▸ NCOR2 Q9Y618 2/20 0.60
▸ MAPT P10636 7/20 0.59
▸ TSHR P16473 3/20 0.59
▸ KMT2A Q03164 4/20 0.55
▸ NPSR1 Q6W5P4 3/20 0.55
▸ NPC1 O15118 2/20 0.55
▸ SAE1 Q9UBE0 2/20 0.55
▸ UBA2 Q9UBT2 2/20 0.55
▸ HTT P42858 1/20 0.55
▸ ALOX15 P16050 1/20 0.54

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
SCHEMBL1675536 0.89 HDAC6 (0.77) HDAC6KDM4EHPGDALDH1A1HSD17B10
SCHEMBL19029193 0.86 HDAC6 (1.00) HDAC6KDM4EHPGDALDH1A1HSD17B10
SCHEMBL2242975 0.81 ALDH1A1 (0.71) HDAC6KDM4EHPGDALDH1A1HSD17B10
SCHEMBL23513405 0.79 SMN1; SMN2 (0.68) HDAC6KDM4EHPGDALDH1A1HSD17B10
SCHEMBL1675359 0.79 HDAC6 (0.63) HDAC6KDM4EHPGDALDH1A1HSD17B10
SCHEMBL19029328 0.79 HDAC6 (1.00) HDAC6KDM4EHPGDALDH1A1HSD17B10
SCHEMBL2246803 0.79 MAPT (0.58) HDAC6KDM4EHPGDTP53MAPT
SCHEMBL15223796 0.78 RAB9A (0.67) HDAC6KDM4EHPGDALDH1A1HSD17B10
SCHEMBL2246261 0.78 MAPT (0.67) HDAC6KDM4EHPGDALDH1A1SMN1; SMN2
SCHEMBL2247861 0.78 RAB9A (0.66) HDAC6KDM4EHPGDALDH1A1HSD17B10

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
WO-2009151546-A2 METHODS FOR TREATING SPINAL MUSCULAR ATROPHY PTC THERAPEUTICS, INC. (US) 2009-12-17 — — WO disclosed
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