SCHEMBL14449396

SCHEMBL14449396

Cc1c(C(=O)OC(C)(C)C)[nH]c(CC(=O)O)c1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.42
IGF1R P08069 1/20 0.39
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.34
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL138566 0.87 IGF1R (0.50) ALDH1A1LMNAIGF1RHPGDMAPK1
SCHEMBL14449395 0.86 ALDH1A1 (0.50) ALDH1A1LMNAIGF1RHPGDMAPK1
SCHEMBL30166910 0.83 ALDH1A1 (0.42) ALDH1A1LMNAIGF1RHPGDMAPK1
SCHEMBL13983006 0.80 ALDH1A1 (0.63) ALDH1A1LMNAIGF1RHPGDMAPK1
SCHEMBL7678691 0.78 GRM6 (0.40) ALDH1A1LMNAHPGDMAPK1KMT2A
SCHEMBL140029 0.76 IGF1R (0.50) ALDH1A1LMNAIGF1RHPGDMAPK1
SCHEMBL14142059 0.75 LMNA (0.51) ALDH1A1LMNAIGF1RMAPK1KMT2A
SCHEMBL3141664 0.74 IGF1R (0.48) ALDH1A1LMNAIGF1RHPGDMAPK1
SCHEMBL13830529 0.73 IGF1R (0.43) LMNAIGF1RHPGDKMT2A
SCHEMBL29951621 0.73 NPSR1 (0.61) ALDH1A1LMNAMAPK1KMT2AHTT

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
WO-2007085188-A1 PYRROLO [3,2-C] PYRIDINE-4-ONE 2-INDOLINONE PROTEIN KINASE INHIBITORS SHANGHAI HENGRUI PHARMACEUTICAL CO. LTD. (CN) 2007-08-02 WO disclosed