SCHEMBL28106264

SCHEMBL28106264

CCC[C@H](Cc1ccccc1)C(=O)CC

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 2/20 0.57
▸ HDAC4 P56524 2/20 0.57
▸ HDAC1 Q13547 2/20 0.57
▸ HDAC2 Q92769 2/20 0.57
▸ HDAC8 Q9BY41 2/20 0.57
▸ CYP1A2 P05177 1/20 0.55
▸ CPA3 P15088 3/20 0.50
▸ CPA1 P15085 6/20 0.49
▸ FOLH1 Q04609 2/20 0.49
▸ CPB1 P15086 1/20 0.49
▸ CPB2 Q96IY4 1/20 0.49
▸ ANPEP P15144 1/20 0.48
▸ RNPEP Q9H4A4 1/20 0.48
▸ DNPEP Q9ULA0 1/20 0.48
▸ MME P08473 1/20 0.46
▸ POLB P06746 1/20 0.45
▸ SLC1A3 P43003 1/20 0.45
▸ SLC1A2 P43004 1/20 0.45
▸ SLC1A1 P43005 1/20 0.45

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
SCHEMBL28106233 1.00 HDAC3 (0.57) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL28576210 0.87 CSNK1E (0.54) FOLH1
SCHEMBL18637644 0.86 CYP1A2 (0.52) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL1709339 0.85 CYP1A2 (0.64) CYP1A2CPA3CPA1FOLH1CPB1
SCHEMBL4550704 0.85 CYP1A2 (0.70) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL6657008 0.85 CYP1A2 (0.70) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL1709283 0.85 CYP1A2 (0.64) CYP1A2CPA3CPA1FOLH1CPB1
SCHEMBL5710051 0.85 CYP1A2 (0.59) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL14520756 0.84 HDAC3 (0.59) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL13933742 0.82 ANPEP (0.52) CYP1A2CPA3CPA1FOLH1CPB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109970797-A Hydroxyformamide derivatives and application thereof 葛兰素史密斯克莱知识产权(第2 号)有限公司 2019-07-05 — — CN disclosed
CN-106103431-B Hydroxycarboxamide derivatives and their use 葛兰素史密斯克莱知识产权(第2 号)有限公司 2019-03-15 — — CN disclosed
CN-106103431-A Hydroxycarboxamide derivatives and their use 葛兰素史密斯克莱知识产权(第2 号)有限公司 2016-11-09 — — CN disclosed
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