SCHEMBL5198022

SCHEMBL5198022

C[C]1C=C(Oc2ccccc2)C=CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NR1H2 P55055 1/20 0.32
BAX Q07812 1/20 0.32
MAOA P21397 1/20 0.32
CA4 P22748 1/20 0.32
LMNA P02545 1/20 0.32
HAO1 Q9UJM8 1/20 0.31
NPC1 O15118 1/20 0.30
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C9 P11712 1/20 0.30
HPGD P15428 1/20 0.30
MAPK1 P28482 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 1/20 0.30
ATM Q13315 1/20 0.30

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
SCHEMBL11133220 0.70 LTA4H (0.32) LTA4HTSHRSMN1; SMN2NR1H2BAX
SCHEMBL10273562 0.67 LTA4H (0.44) LTA4HTSHRNR1H2BAXMAOA
SCHEMBL15850434 0.66 LTA4H (0.38) LTA4HTSHRNR1H2BAXMAOA
SCHEMBL7356685 0.65 LTA4H (0.42) LTA4HTSHRHTTNR1H2BAX
SCHEMBL23156332 0.64 LTA4H (0.37) LTA4HTSHRHTTSMN1; SMN2NR1H2
SCHEMBL21540141 0.64 LTA4H (0.46) LTA4HTSHRNR1H2BAXMAOA
SCHEMBL20833184 0.63 LTA4H (0.39) LTA4HTSHRHTTSMN1; SMN2NR1H2
SCHEMBL838548 0.63 LTA4H (0.44) LTA4HTSHRHTTNR1H2BAX
Diphenylether SCHEMBL11481331 0.62 LTA4H (0.86) LTA4HTSHRHTTSMN1; SMN2NR1H2
Diphenylether SCHEMBL9061108 0.61 LTA4H (1.00) LTA4HTSHRNR1H2BAXMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1741337-B1 Process for preparing a solid antimite product for clothing and corresponding containers EUROP DEL HOGAR Y LA LIMPIEZA EUROLAR S L (ES) 2013-11-13 EP disclosed
EP-1741337-A2 Process for preparing a solid antimite product for clothing and corresponding containers Europea del Hogar y La Limpieza Eurolar, S.L. (ES) 2007-01-10 EP disclosed