SCHEMBL28854036

SCHEMBL28854036

O=C(CC1CCCCC1)C(=O)c1cc(-c2ccccc2)cs1.O=C(NO)C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
ADORA3 P0DMS8 3/20 0.40
ADORA1 P30542 4/20 0.39
EPHX2 P34913 1/20 0.38
ADORA2A P29274 3/20 0.38
HPGD P15428 1/20 0.38
USP30 Q70CQ3 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MMP12 P39900 1/20 0.36

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
SCHEMBL28714910 0.89 HDAC6 (0.41) HDAC6ADORA3EPHX2USP30NPC1
SCHEMBL28457907 0.89 HDAC6 (0.41) HDAC6ADORA3EPHX2USP30NPC1
SCHEMBL29029864 0.77 MMP12 (0.39) HDAC6ADORA3EPHX2USP30NPC1
SCHEMBL29029866 0.74 NR4A2 (0.53)
Acetic Acid SCHEMBL28413593 0.74 HDAC6 (0.40) HDAC6EPHX2HPGDUSP30NPC1
Benzoic Acid SCHEMBL28409597 0.71 PTGES (0.39) HDAC6EPHX2USP30NPC1RAB9A
SCHEMBL12663210 0.67 HDAC6 (0.60) HDAC6HDAC8HDAC3HDAC1HDAC7
SCHEMBL6414100 0.66 RAB9A (0.55) HPGDNPC1RAB9A
SCHEMBL29117007 0.65 RAB9A (0.45) HDAC6HPGDUSP30NPC1RAB9A
SCHEMBL8288803 0.65 HDAC6 (0.50) HDAC6HDAC8HDAC3HDAC4HDAC1

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
CN-115128899-A Photosensitive resin composition with improved system hue stability 常州正洁智造科技有限公司 2022-09-30 CN disclosed