SCHEMBL14413930

SCHEMBL14413930

CC(=O)CCOc1ccc(-c2ccccc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP3 P08254 1/20 0.66
▸ HDAC1 Q13547 10/20 0.59
▸ HDAC2 Q92769 10/20 0.59
▸ HDAC3 O15379 9/20 0.59
▸ HDAC4 P56524 9/20 0.59
▸ HDAC7 Q8WUI4 9/20 0.59
▸ HDAC10 Q969S8 9/20 0.59
▸ HDAC11 Q96DB2 9/20 0.59
▸ HDAC8 Q9BY41 9/20 0.59
▸ HDAC6 Q9UBN7 9/20 0.59
▸ HDAC9 Q9UKV0 9/20 0.59
▸ HDAC5 Q9UQL6 9/20 0.59
▸ LTA4H P09960 1/20 0.57
▸ MAPT P10636 2/20 0.54
▸ LMNA P02545 1/20 0.54
▸ LSS P48449 1/20 0.53
▸ MMP2 P08253 1/20 0.53
▸ FFAR1 O14842 1/20 0.52
▸ FFAR4 Q5NUL3 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL7737575 0.90 HDAC1 (0.69) MMP3HDAC1HDAC2HDAC3HDAC4
SCHEMBL8278956 0.89 MTNR1A (0.59) HDAC1HDAC2MAPTL3MBTL1NPC1
SCHEMBL7738398 0.88 HDAC1 (0.72) MMP3HDAC1HDAC2HDAC3HDAC4
SCHEMBL7739114 0.88 HDAC1 (0.72) MMP3HDAC1HDAC2HDAC3HDAC4
SCHEMBL7049002 0.85 MMP2 (0.70) MMP3HDAC1HDAC2HDAC3HDAC4
SCHEMBL21993319 0.83 MMP3 (0.67) MMP3HDAC1HDAC2HDAC3HDAC4
SCHEMBL21993318 0.82 MMP3 (0.66) MMP3HDAC1HDAC2HDAC3HDAC4
SCHEMBL7733929 0.81 MAPT (0.66) MMP3HDAC1HDAC2HDAC3HDAC4
SCHEMBL9877712 0.81 LTA4H (0.60) MMP3HDAC1HDAC2HDAC3HDAC4
SCHEMBL16380448 0.81 MMP2 (0.74) MMP3HDAC1HDAC2MAPTMMP2

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-20070205395-A1 Liquid crystalline polyrotaxane THE UNIVERSITY OF TOKYO (JP) 2007-09-06 — — US disclosed
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