SCHEMBL7846887

SCHEMBL7846887

O=C(O)c1c(NC2CCCCO2)sc2c1CC(CN1C(=O)c3cc(Cl)c(Cl)cc3C1=O)OC2

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 14/20 0.39
KDM4E B2RXH2 3/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TSHR P16473 2/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 2/20 0.36
HSD17B10 Q99714 2/20 0.36
MEN1 O00255 1/20 0.36
RAB7A P51149 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL7568404 0.89 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDTSHRKMT2A
SCHEMBL7567316 0.88 RAB7A (0.33) ALDH1A1RAB7A
SCHEMBL7862333 0.86 ALDH1A1 (0.47) ALDH1A1KDM4ELMNAMAPTHPGD
SCHEMBL7563366 0.86 ALDH1A1 (0.42) ALDH1A1KDM4ETSHRKMT2AGAA
SCHEMBL7692364 0.86 KMT2A (0.34) ALDH1A1KMT2AGAAMEN1RAB7A
SCHEMBL7864191 0.86 ALDH1A1 (0.36) ALDH1A1KDM4ETSHRKMT2AGAA
SCHEMBL5843765 0.85 ALDH1A1 (0.38) ALDH1A1KDM4ETSHRKMT2AGAA
SCHEMBL7854356 0.84 ALDH1A1 (0.48) ALDH1A1TSHRKMT2AGAAHSD17B10
SCHEMBL6225735 0.84 ALDH1A1 (0.37) ALDH1A1KDM4ESMN1; SMN2TSHRRAB7A
SCHEMBL7155949 0.83 RAB7A (0.33) ALDH1A1TSHRRAB7A

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
EP-1080068-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES Novo Nordisk A/S (DK) 2001-03-07 EP disclosed
WO-1999046237-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES NOVO NORDISK A/S (DK) 1999-09-16 WO disclosed