SCHEMBL23086149

SCHEMBL23086149

Cc1ccc(NC(=O)c2ccc(C3CCCCC3)cc2)c(C(=O)OI)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SERPINE1 P05121 3/20 0.56
▸ HDAC8 Q9BY41 2/20 0.50
▸ HDAC6 Q9UBN7 2/20 0.50
▸ DEGS1 O15121 2/20 0.50
▸ HDAC3 O15379 1/20 0.50
▸ HDAC11 Q96DB2 1/20 0.50
▸ HDAC1 Q13547 1/20 0.48
▸ ITK Q08881 1/20 0.44
▸ NAMPT P43490 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ HPGD P15428 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ MCHR1 Q99705 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ GFER P55789 1/20 0.43
▸ ADCY1 Q08828 1/20 0.42

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
SCHEMBL19392610 0.82 SERPINE1 (0.58) SERPINE1HDAC8HDAC6DEGS1HDAC3
SCHEMBL420439 0.82 SERPINE1 (0.58) SERPINE1HDAC8HDAC6DEGS1HDAC3
SCHEMBL418773 0.79 SERPINE1 (0.77) SERPINE1HDAC8HDAC6DEGS1HDAC3
SCHEMBL417528 0.79 SERPINE1 (0.57) SERPINE1HDAC8HDAC6DEGS1HDAC3
SCHEMBL418515 0.76 SERPINE1 (0.54) SERPINE1HDAC8HDAC6DEGS1HDAC3
SCHEMBL422315 0.76 SERPINE1 (0.81) SERPINE1HDAC8HDAC6DEGS1HDAC3
SCHEMBL29838729 0.76 SERPINE1 (0.81) SERPINE1HDAC8HDAC6DEGS1HDAC3
SCHEMBL16022191 0.74 HDAC8 (0.76) HDAC8HDAC6DEGS1HDAC3HDAC11
SCHEMBL418422 0.74 SERPINE1 (0.52) SERPINE1HDAC8HDAC6DEGS1HDAC3
SCHEMBL27851426 0.74 SERPINE1 (0.60) SERPINE1HDAC8HDAC6DEGS1HDAC3

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-2607348-B1 Plasminogen Activator Inhibitor-1 Inhibitor RENASCIENCE INC (JP) 2021-03-17 — — EP disclosed
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