SCHEMBL29838729

SCHEMBL29838729

O=C(Nc1ccc(C2CCCCC2)cc1C(=O)O)c1ccc(C2CCCCC2)cc1

nearest known ligand 0.81

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SERPINE1 P05121 7/20 0.81
▸ DEGS1 O15121 2/20 0.59
▸ ACMSD Q8TDX5 2/20 0.57
▸ HDAC8 Q9BY41 2/20 0.56
▸ HDAC6 Q9UBN7 2/20 0.56
▸ HDAC3 O15379 1/20 0.56
▸ HDAC11 Q96DB2 1/20 0.56
▸ HDAC1 Q13547 1/20 0.54
▸ KDM1A O60341 1/20 0.51
▸ MAPT P10636 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ NAMPT P43490 1/20 0.50
▸ ITK Q08881 1/20 0.50
▸ HAO1 Q9UJM8 1/20 0.48
▸ KMO O15229 1/20 0.48

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
SCHEMBL422315 1.00 SERPINE1 (0.81) SERPINE1DEGS1ACMSDHDAC8HDAC6
SCHEMBL419193 0.90 SERPINE1 (1.00) SERPINE1DEGS1HDAC8HDAC6HDAC3
SCHEMBL416727 0.87 SERPINE1 (0.70) SERPINE1DEGS1ACMSDHDAC8HDAC6
SCHEMBL419124 0.84 SERPINE1 (0.66) SERPINE1DEGS1HDAC8HDAC6HDAC3
SCHEMBL29838650 0.84 SERPINE1 (0.66) SERPINE1DEGS1ACMSDHDAC8HDAC6
SCHEMBL416992 0.84 SERPINE1 (0.66) SERPINE1DEGS1ACMSDHDAC8HDAC6
SCHEMBL27574066 0.83 SERPINE1 (0.65) SERPINE1DEGS1ACMSDHDAC8HDAC6
SCHEMBL418963 0.82 SERPINE1 (0.64) SERPINE1DEGS1ACMSDHDAC8HDAC6
SCHEMBL2272370 0.81 SERPINE1 (0.59) SERPINE1DEGS1ACMSDHDAC8HDAC6
SCHEMBL419189 0.79 SERPINE1 (1.00) SERPINE1KMO

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
EP-4039276-A1 INHIBITOR AGAINST EXPRESSION OF IMMUNE CHECKPOINT MOLECULE Renascience Inc. (JP) 2022-08-10 — — EP disclosed
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