SCHEMBL29014138

SCHEMBL29014138

[CH2]C(c1cccc(OCc2ccccc2)c1)C1CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.51
KMT2A Q03164 2/20 0.51
SGMS2 Q8NHU3 1/20 0.49
MAOB P27338 5/20 0.49
BCHE P06276 2/20 0.47
CYP4F2 P78329 1/20 0.47
CYP4A11 Q02928 1/20 0.47
MAOA P21397 1/20 0.46
NR4A2 P43354 1/20 0.46
FFAR1 O14842 1/20 0.45
ALOX5 P09917 2/20 0.44
KCNH2 Q12809 1/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
MEN1 O00255 1/20 0.44
LCK P06239 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
SCHEMBL28969253 1.00 SMN1; SMN2 (0.51) SMN1; SMN2KMT2ASGMS2MAOBBCHE
SCHEMBL23923967 0.83 BCHE (0.53) SMN1; SMN2KMT2ASGMS2MAOBBCHE
SCHEMBL22717056 0.83 KMT2A (0.54) SMN1; SMN2KMT2ASGMS2MAOBBCHE
SCHEMBL23923970 0.83 BCHE (0.53) SMN1; SMN2KMT2ASGMS2MAOBBCHE
SCHEMBL30317816 0.83 BCHE (0.53) SMN1; SMN2KMT2ASGMS2MAOBBCHE
SCHEMBL24646025 0.81 SMN1; SMN2 (0.49) SMN1; SMN2KMT2ASGMS2MAOBBCHE
SCHEMBL22724743 0.81 SMN1; SMN2 (0.49) SMN1; SMN2KMT2ASGMS2MAOBBCHE
SCHEMBL24646019 0.81 MAOB (0.50) SMN1; SMN2KMT2ASGMS2MAOBBCHE
SCHEMBL22717572 0.81 FFAR1 (0.53) SMN1; SMN2KMT2ASGMS2MAOBBCHE
SCHEMBL28969185 0.81 FFAR1 (0.53) SMN1; SMN2KMT2ASGMS2MAOBBCHE

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-115867536-A GPR40 agonists 卡尔优普公司 2023-03-28 CN disclosed