SCHEMBL9843049

SCHEMBL9843049

CC(C)(C)[Si](C)(C)OCCCC[C@H](CC=Cc1cccnc1)CCC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 14/20 0.47
CHRNB2 P17787 2/20 0.39
CHRNA4 P43681 2/20 0.39
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
JUN P05412 1/20 0.34
MAPT P10636 1/20 0.34
NFKB1 P19838 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 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
SCHEMBL9843054 1.00 TBXAS1 (0.47) TBXAS1CHRNB2CHRNA4KDM4ENPC1
SCHEMBL9733100 0.84 TBXAS1 (0.41) TBXAS1CHRNB2CHRNA4KDM4ENPC1
SCHEMBL9733096 0.84 TBXAS1 (0.41) TBXAS1CHRNB2CHRNA4KDM4ENPC1
SCHEMBL9732639 0.79 TBXAS1 (0.56) TBXAS1CHRNB2CHRNA4KDM4ENPC1
SCHEMBL9732636 0.79 TBXAS1 (0.56) TBXAS1CHRNB2CHRNA4KDM4ENPC1
SCHEMBL8527898 0.78 TBXAS1 (0.39) TBXAS1CHRNB2CHRNA4KDM4ENPC1
SCHEMBL9733996 0.76 TBXAS1 (0.48) TBXAS1CHRNB2CHRNA4KDM4ENPC1
SCHEMBL9734003 0.76 TBXAS1 (0.48) TBXAS1CHRNB2CHRNA4KDM4ENPC1
SCHEMBL9733052 0.75 TBXAS1 (0.47) TBXAS1CHRNB2CHRNA4KDM4ENPC1
SCHEMBL9732792 0.75 TBXAS1 (0.47) TBXAS1CHRNB2CHRNA4KDM4ENPC1

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