SCHEMBL23987286

SCHEMBL23987286

CCCCCCCCCCCCN1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1O)c64)C(=O)N(CCCCCN)C5=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HEXA P06865 2/20 0.44
▸ HEXB P07686 2/20 0.44
▸ STAT3 P40763 1/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ HDAC3 O15379 6/20 0.41
▸ HDAC1 Q13547 6/20 0.41
▸ HDAC7 Q8WUI4 6/20 0.41
▸ HDAC2 Q92769 6/20 0.41
▸ HDAC10 Q969S8 6/20 0.41
▸ HDAC11 Q96DB2 6/20 0.41
▸ HDAC8 Q9BY41 6/20 0.41
▸ HDAC6 Q9UBN7 6/20 0.41
▸ HDAC5 Q9UQL6 6/20 0.41
▸ HDAC4 P56524 5/20 0.41
▸ HDAC9 Q9UKV0 5/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ RGS12 O14924 2/20 0.40
▸ HTT P42858 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.40

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
SCHEMBL20392828 0.95 STAT3 (0.48) STAT3HIF1AHDAC3HDAC1HDAC7
SCHEMBL22651727 0.89 STAT3 (0.41) STAT3HIF1AMEN1RGS12HTT
SCHEMBL23987283 0.85 STAT3 (0.57) HEXAHEXBSTAT3HIF1AHDAC3
SCHEMBL23987359 0.85 STAT3 (0.57) HEXAHEXBSTAT3HIF1AHDAC3
SCHEMBL23957078 0.83 STAT3 (0.57) HEXAHEXBSTAT3HIF1AHDAC3
SCHEMBL24017161 0.83 MEN1 (0.38) STAT3HIF1AHDAC3HDAC1HDAC7
SCHEMBL23417393 0.82 STAT3 (0.58) HEXAHEXBSTAT3HIF1AHDAC3
SCHEMBL23340532 0.81 MEN1 (0.49) HDAC3HDAC1HDAC7HDAC2HDAC10
SCHEMBL23957124 0.81 HDAC3 (0.35) STAT3HIF1AHDAC3HDAC1HDAC7
SCHEMBL22651618 0.81 STAT3 (0.39) STAT3HIF1AHDAC3HDAC1HDAC2

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-20210341373-A1 Detecting Compounds in Airborne Particles Using Ion Exchange GENTEX CORPORATION 2021-11-04 — — US disclosed
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