SCHEMBL7694698

SCHEMBL7694698

COc1ccc(CN2Cc3sc(NC4CCCCO4)c(C(=O)O)c3CC2CNC(=O)C=Cc2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
ALDH1A1 P00352 7/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPK1 P28482 1/20 0.38
MAPT P10636 5/20 0.37
FLT3 P36888 1/20 0.37
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
HPGD P15428 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
POLB P06746 1/20 0.36
THRB P10828 1/20 0.36
MGLL Q99685 1/20 0.36
TP53 P04637 2/20 0.35
LMNA P02545 3/20 0.35
TACR2 P21452 1/20 0.35
AGTR1 P30556 1/20 0.34

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
SCHEMBL7524893 0.86 PTPN1 (0.45) BCHEACHEALDH1A1L3MBTL1KDM4E
SCHEMBL5846091 0.85 BCHE (0.41) BCHEACHEALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL5846085 0.85 BCHE (0.41) BCHEACHEALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL7699895 0.81 KMT2A (0.42) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL7571116 0.80 ALDH1A1 (0.36) ALDH1A1OPRM1
SCHEMBL7542021 0.80 PTPN1 (0.38) MEN1KMT2A
SCHEMBL7701621 0.80 HDAC1 (0.36) ALDH1A1L3MBTL1KDM4EKMT2AHPGD
SCHEMBL7555860 0.77 AKR1C2 (0.37) BCHEACHEKDM4EMEN1KMT2A
SCHEMBL7703247 0.76 KDM4E (0.49) ALDH1A1SMN1; SMN2KDM4EMAPTKMT2A
SCHEMBL7564931 0.75 POLB (0.35) ALDH1A1L3MBTL1SMN1; SMN2MEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002004458-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 2002-01-17 WO claimed
WO-2002004458-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 2002-01-17 WO disclosed