SCHEMBL4788883

SCHEMBL4788883

CNS(=O)(=O)c1cc(O)c2c(c1)CC(C)(C)O2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
LMNA P02545 3/20 0.36
ALDH1A1 P00352 4/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HTT P42858 1/20 0.34
PNMT P11086 1/20 0.34
CYP26A1 O43174 1/20 0.33
CYP26B1 Q9NR63 1/20 0.33
MAPT P10636 1/20 0.32
PKM P14618 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA3 P07451 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA5A P35218 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31

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
SCHEMBL4787216 0.84 AKT1 (0.38) LMNAALDH1A1MAPTCA12CA1
SCHEMBL4752969 0.78 PKM (0.46) ALDH1A1CYP26A1CYP26B1MAPTPKM
SCHEMBL4752450 0.75 LMNA (0.36) TSHRLMNAALDH1A1GAA
SCHEMBL4868478 0.72 LMNA (0.42) LMNAALDH1A1SMN1; SMN2HTTMAPT
SCHEMBL23667871 0.72 SELL (0.37) LMNAALDH1A1MAPTPKMGAA
SCHEMBL4754019 0.70 ALOX15 (0.37) TSHRLMNAALDH1A1SMN1; SMN2HTT
SCHEMBL4750485 0.70 HTR2A (0.51) LMNAALDH1A1PKMNPSR1HTR2A
SCHEMBL30079686 0.70 ALOX15 (0.37) TSHRLMNAALDH1A1SMN1; SMN2HTT
SCHEMBL23667872 0.70 HTR2A (0.38) LMNAALDH1A1MAPTPKMNPSR1
SCHEMBL29724666 0.70 KMT2A (0.41) LMNAALDH1A1MAPTPKMNPSR1

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-2008146064-A1 NEW BENZOFURAN DERIVATIVES AS SELECTIVE 5HT7 RECEPTOR INHIBITORS AND PROCESS FOR THEIR PREPARATION EGIS GYÓGYSZERGYÁR (HU) 2008-12-04 WO disclosed