SCHEMBL4743894

SCHEMBL4743894

CC(=O)OCCOc1cccc(C2SCC(=O)N2c2ccc(Oc3ccc(Cl)cc3)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
HTT P42858 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
KMT2A Q03164 1/20 0.48
GFER P55789 3/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
MAPT P10636 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL4746666 0.88 ALDH1A1 (0.52) ALDH1A1HTTNPSR1KMT2AGFER
SCHEMBL4746742 0.87 ALDH1A1 (0.57) ALDH1A1HTTNPSR1KMT2AGFER
SCHEMBL4747296 0.86 KMT2A (0.54) ALDH1A1HTTNPSR1KMT2AGFER
SCHEMBL4745889 0.83 KMT2A (0.66) ALDH1A1HTTNPSR1KMT2AGFER
SCHEMBL4743949 0.83 ALDH1A1 (0.64) ALDH1A1HTTNPSR1KMT2AGFER
SCHEMBL4748024 0.80 CA1 (0.67) ALDH1A1HTTNPSR1KMT2AGFER
SCHEMBL4746720 0.80 ALDH1A1 (0.46) ALDH1A1HTTNPSR1KMT2AGFER
SCHEMBL4746805 0.80 GFER (0.61) ALDH1A1HTTNPSR1KMT2AGFER
SCHEMBL4743907 0.80 KMT2A (0.55) ALDH1A1HTTNPSR1KMT2AGFER
SCHEMBL4747343 0.80 KMT2A (0.58) ALDH1A1HTTNPSR1KMT2AGFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008112674-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-09-18 WO claimed
WO-2008112674-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-09-18 WO disclosed
WO-2008112674-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-09-18 WO disclosed