SCHEMBL28043235

SCHEMBL28043235

[CH2]CC(O)c1cccc(NCC2CCCC2)c1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
EPHX1 P07099 2/20 0.38
EPHX2 P34913 1/20 0.38
BCHE P06276 6/20 0.36
PTPN1 P18031 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
CRHR1 P34998 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
SCHEMBL25823727 0.85 PNMT (0.41) LMNAEPHX1EPHX2BCHEPTPN1
SCHEMBL2150950 0.84 LMNA (0.37) LMNAEPHX1EPHX2BCHEPTPN1
SCHEMBL15461614 0.84 LMNA (0.40) LMNAEPHX1EPHX2BCHEPTPN1
SCHEMBL2151052 0.83 LMNA (0.39) LMNAEPHX1EPHX2BCHEPTPN1
SCHEMBL2150918 0.83 LMNA (0.39) LMNAEPHX1EPHX2BCHEPTPN1
SCHEMBL25818182 0.83 LMNA (0.39) LMNAEPHX1EPHX2BCHEPTPN1
SCHEMBL15576263 0.83 LMNA (0.41) LMNAEPHX1EPHX2BCHEPTPN1
SCHEMBL15461617 0.83 LMNA (0.41) LMNAEPHX1EPHX2BCHEPTPN1
SCHEMBL2150796 0.83 KMT2A (0.38) LMNAEPHX1EPHX2BCHEPTPN1
SCHEMBL13323793 0.82 TSHR (0.39) LMNAEPHX1EPHX2BCHEPTPN1

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
CN-102197023-B Compounds for the treatment of ophthalmic diseases and disorders ACUCELA INC. (US) 2015-12-16 CN disclosed