SCHEMBL9843058

SCHEMBL9843058

C[SiH](C)O[C@@H](CC(CC=Cc1cccnc1)CCCCC(C)(C)C)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.40
CHRNA4 P43681 2/20 0.40
TBXAS1 P24557 2/20 0.40
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
JUN P05412 1/20 0.36
MAPT P10636 1/20 0.36
NFKB1 P19838 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
CYP1A1 P04798 5/20 0.34
CYP1A2 P05177 5/20 0.34
CYP1B1 Q16678 5/20 0.34
LMNA P02545 1/20 0.33
APAF1 O14727 1/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CHRNB4 P30926 1/20 0.33

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
SCHEMBL9869500 0.74 CHRNB2 (0.42) CHRNB2CHRNA4TBXAS1KDM4ENPC1
SCHEMBL9869512 0.71 TBXAS1 (0.39) CHRNB2CHRNA4TBXAS1KDM4ENPC1
SCHEMBL9734003 0.69 TBXAS1 (0.48) CHRNB2CHRNA4TBXAS1KDM4ENPC1
SCHEMBL9733996 0.69 TBXAS1 (0.48) CHRNB2CHRNA4TBXAS1KDM4ENPC1
SCHEMBL9843049 0.69 TBXAS1 (0.47) CHRNB2CHRNA4TBXAS1KDM4ENPC1
SCHEMBL9843054 0.69 TBXAS1 (0.47) CHRNB2CHRNA4TBXAS1KDM4ENPC1
SCHEMBL9733052 0.68 TBXAS1 (0.47) CHRNB2CHRNA4TBXAS1KDM4ENPC1
SCHEMBL9732792 0.68 TBXAS1 (0.47) CHRNB2CHRNA4TBXAS1KDM4ENPC1
SCHEMBL9734360 0.68 ACACB (0.36)
SCHEMBL4665075 0.67 CHRNB2 (0.61) CHRNB2CHRNA4TBXAS1KDM4ENPC1

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
EP-0405391-A1 Certain (arylsulfonamido- and pyridyl- or imidazolyl-)-substituted carboxylic acids and derivatives thereof CIBA-GEIGY AG (CH) 1991-01-02 EP disclosed