SCHEMBL7860022

SCHEMBL7860022

O=C(O)c1c(NC2CCCCO2)sc2c1CC(CNC(=O)C(Cc1ccccc1)N1C(=O)c3ccccc3C1=O)OC2

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
HTT P42858 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PKM P14618 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
GAA P10253 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
LMNA P02545 2/20 0.36
HPGD P15428 1/20 0.36
DUSP3 P51452 1/20 0.36
PTPN5 P54829 1/20 0.36
PTPN11 Q06124 1/20 0.36
USP2 O75604 1/20 0.36
MAPT P10636 1/20 0.36
ADORA2A P29274 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
POLB P06746 1/20 0.35
RAB7A P51149 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
SCHEMBL7859830 0.92 ALDH1A1 (0.46) ALDH1A1HTTKMT2AGAANPSR1
SCHEMBL6403199 0.91 ALDH1A1 (0.46) ALDH1A1HTTMEN1KMT2AGAA
SCHEMBL6318310 0.86 ALDH1A1 (0.44) ALDH1A1HTTMEN1KMT2APKM
SCHEMBL6396539 0.83 CTSS (0.39) ALDH1A1MAPTRAB7A
SCHEMBL7861292 0.83 ALDH1A1 (0.52) ALDH1A1HTTGAALMNAHPGD
SCHEMBL7159868 0.78 HPGD (0.47) ALDH1A1HTTMEN1KMT2APKM
SCHEMBL6322191 0.77 ALDH1A1 (0.46) ALDH1A1HTTKMT2ANPSR1LMNA
SCHEMBL7864344 0.76 RAB7A (0.36) ALDH1A1HTTPKMHPGDPOLB
SCHEMBL7160354 0.76 HPGD (0.45) ALDH1A1KMT2ANPSR1LMNAHPGD
SCHEMBL7117916 0.76 ALDH1A1 (0.47) ALDH1A1HTTGAANPSR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1080095-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 2001-03-07 EP claimed
WO-1999046267-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 1999-09-16 WO claimed
EP-1080095-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 2001-03-07 EP disclosed
WO-1999046267-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 1999-09-16 WO disclosed