SCHEMBL23739760

SCHEMBL23739760

CC(=O)CCC(C(N)=O)N1Cc2c(CCCO)cccc2C1=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ ALDH1A1 P00352 3/20 0.32
▸ POLB P06746 2/20 0.32
▸ MAPT P10636 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ GAA P10253 1/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ THRB P10828 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ TP53 P04637 1/20 0.30
▸ GLA P06280 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ ALOX12 P18054 1/20 0.30
▸ NFKB1 P19838 1/20 0.30
▸ APEX1 P27695 1/20 0.30

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
SCHEMBL18639818 0.87 KDM4E (0.39) ALOX15KDM4EALDH1A1POLBMAPT
SCHEMBL18639836 0.87 KDM4E (0.39) ALOX15KDM4EALDH1A1POLBMAPT
SCHEMBL18639839 0.87 KDM4E (0.39) ALOX15KDM4EALDH1A1POLBMAPT
SCHEMBL18639819 0.85 NPC1 (0.33) ALOX15KDM4EALDH1A1POLBGAA
SCHEMBL18666828 0.85 NPC1 (0.33) ALOX15KDM4EALDH1A1POLBGAA
SCHEMBL18639837 0.85 NPC1 (0.33) ALOX15KDM4EALDH1A1POLBGAA
SCHEMBL18639867 0.85 NPC1 (0.33) ALOX15KDM4EALDH1A1POLBGAA
SCHEMBL7671030 0.83 KDM4E (0.39) ALOX15KDM4EALDH1A1POLBTP53
SCHEMBL25654057 0.82 ALOX15 (0.31) ALOX15KDM4EALDH1A1POLBMAPT
SCHEMBL6368923 0.82 KDM4E (0.37) ALOX15KDM4EALDH1A1POLBMAPT

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-3862348-A1 ISOINDOLINE COMPOUND, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2021-08-11 — — EP disclosed
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