SCHEMBL28224613

SCHEMBL28224613

CCCCCCCC(C(=O)OC)c1c[nH]c2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.51
HDAC1 Q13547 2/20 0.51
HDAC2 Q92769 2/20 0.51
HDAC10 Q969S8 2/20 0.51
HDAC11 Q96DB2 2/20 0.51
HDAC8 Q9BY41 2/20 0.51
HDAC9 Q9UKV0 2/20 0.51
HDAC5 Q9UQL6 2/20 0.51
HDAC4 P56524 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
GPR84 Q9NQS5 2/20 0.50
FFAR1 O14842 1/20 0.50
MTNR1A P48039 2/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
MAPT P10636 1/20 0.46
PKM P14618 1/20 0.46
KCNA5 P22460 1/20 0.45
NR4A2 P43354 1/20 0.44

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
SCHEMBL28224620 0.95 GPR84 (0.52) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL28223946 0.90 GPR84 (0.58) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL28860693 0.86 MEN1 (0.59) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL16634428 0.84 HDAC3 (0.55) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL21189393 0.81 KMT2A (0.50) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL17520555 0.81 HTR2A (0.56) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL19161105 0.81 HTR2A (0.56) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL19168545 0.81 HTR2A (0.56) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL21067833 0.81 MEN1 (0.61) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL4858383 0.81 MEN1 (0.61) HDAC3HDAC1HDAC2HDAC10HDAC11

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-104936591-B Hematopoietin expression facilitator 国立大学法人东北大学 2018-05-29 CN disclosed