SCHEMBL13537154

SCHEMBL13537154

CCC(C)C(=O)c1ccc(C(=O)Nc2ccc(NC(C)(C)CC)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 3/20 0.44
▸ HDAC3 O15379 2/20 0.43
▸ HDAC11 Q96DB2 1/20 0.43
▸ HDAC8 Q9BY41 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ NPC1 O15118 5/20 0.43
▸ RAB9A P51151 4/20 0.43
▸ SMN1; SMN2 Q16637 5/20 0.43
▸ TRPV1 Q8NER1 3/20 0.43
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ NCOR2 Q9Y618 1/20 0.42
▸ NAMPT P43490 2/20 0.41
▸ LMNA P02545 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ MAPT P10636 2/20 0.41
▸ GAA P10253 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40

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
SCHEMBL12355630 0.82 HDAC2 (0.57) HDAC3HDAC8HDAC6NPC1RAB9A
SCHEMBL13537152 0.80 KDM4E (0.40) NR1H4RAB9ASMN1; SMN2NAMPTLMNA
SCHEMBL24169215 0.80 HDAC3 (0.48) NR1H4HDAC3HDAC11HDAC8HDAC6
SCHEMBL13213695 0.80 HDAC3 (0.47) NR1H4HDAC3HDAC11HDAC8HDAC6
SCHEMBL16504163 0.75 HDAC3 (0.46) NR1H4HDAC3HDAC11HDAC8HDAC6
SCHEMBL22920719 0.73 PGR (0.48) NPC1RAB9ASMN1; SMN2TRPV1HDAC1
SCHEMBL24221611 0.72 LMNA (0.48) HDAC3HDAC11HDAC8HDAC6RAB9A
SCHEMBL10136211 0.72 ACE2 (0.67) NPC1RAB9ASMN1; SMN2ALDH1A1HTT
SCHEMBL11846340 0.72 HTT (0.50) NR1H4HDAC3HDAC8HDAC6NPC1
SCHEMBL23456131 0.72 MAPT (0.46) NR1H4NPC1RAB9ASMN1; SMN2ALDH1A1

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-7649025-B2 Composite ion-exchange membrane TOYO BOSEKI KABUSHIKI KAISHA (JP) 2010-01-19 — — US disclosed
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