SCHEMBL28457907

SCHEMBL28457907

O=C(CC1CCCCC1)C(=O)c1cc(-c2ccccc2)cs1.O=C(O)C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.41
MMP12 P39900 3/20 0.41
EPHX2 P34913 2/20 0.39
USP30 Q70CQ3 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
PTGES O14684 1/20 0.36
ALOX5 P09917 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
AKR1C3 P42330 1/20 0.35
AKR1C1 Q04828 1/20 0.35
VCP P55072 2/20 0.35
KDM2B Q8NHM5 1/20 0.35
ALAD P13716 2/20 0.35

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 1.00 HDAC6 (0.41) HDAC6MMP12EPHX2USP30NPC1
SCHEMBL28854036 0.89 HDAC6 (0.42) HDAC6MMP12EPHX2USP30NPC1
SCHEMBL29029864 0.87 MMP12 (0.39) HDAC6MMP12EPHX2USP30NPC1
SCHEMBL29029866 0.77 NR4A2 (0.53)
Acetic Acid SCHEMBL28413593 0.77 HDAC6 (0.40) HDAC6MMP12EPHX2USP30NPC1
Benzoic Acid SCHEMBL28409597 0.74 PTGES (0.39) HDAC6MMP12EPHX2USP30NPC1
Biphenyl SCHEMBL8962449 0.73 RAB9A (0.61) NPC1RAB9AADORA3AKR1C3AKR1C1
SCHEMBL14944580 0.69 HDAC6 (0.58) HDAC6MMP12USP30ALAD
SCHEMBL6414100 0.69 RAB9A (0.55) NPC1RAB9A
SCHEMBL29117007 0.68 RAB9A (0.45) HDAC6MMP12USP30NPC1RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111752097-A Self-luminous photosensitive resin composition, color filter and image display device 常州强力电子新材料股份有限公司 2020-10-09 CN claimed
CN-111752098-A Self-luminous photosensitive resin composition, color filter and image display device 常州强力电子新材料股份有限公司 2020-10-09 CN claimed