SCHEMBL9869505

SCHEMBL9869505

CCCCC(CC=Cc1cccnc1)CCC(=O)OO[Si](C)(C)CCCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.44
CHRNB2 P17787 2/20 0.39
CHRNA4 P43681 2/20 0.39
HDAC3 O15379 4/20 0.39
NCOR2 Q9Y618 4/20 0.39
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HDAC1 Q13547 3/20 0.37
HDAC2 Q92769 3/20 0.37
NAMPT P43490 1/20 0.36
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
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 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
SCHEMBL9869500 0.79 CHRNB2 (0.42) TBXAS1CHRNB2CHRNA4HDAC3NCOR2
SCHEMBL9709484 0.77 TBXAS1 (0.47) TBXAS1CHRNB2CHRNA4HDAC3NCOR2
SCHEMBL9709487 0.77 TBXAS1 (0.47) TBXAS1CHRNB2CHRNA4HDAC3NCOR2
SCHEMBL9733052 0.75 TBXAS1 (0.47) TBXAS1CHRNB2CHRNA4HDAC3NCOR2
SCHEMBL9732792 0.75 TBXAS1 (0.47) TBXAS1CHRNB2CHRNA4HDAC3NCOR2
SCHEMBL9733996 0.74 TBXAS1 (0.48) TBXAS1CHRNB2CHRNA4HDAC3NCOR2
SCHEMBL9734003 0.74 TBXAS1 (0.48) TBXAS1CHRNB2CHRNA4HDAC3NCOR2
SCHEMBL3023965 0.71 CHRNB2 (0.55) TBXAS1CHRNB2CHRNA4KDM4ENPC1
SCHEMBL3023967 0.71 CHRNB2 (0.55) TBXAS1CHRNB2CHRNA4KDM4ENPC1
SCHEMBL9732639 0.70 TBXAS1 (0.56) TBXAS1CHRNB2CHRNA4HDAC3HPGD

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
US-5025025-A Cardiovascular disorders CIBA-GEIGY CORPORATION (US) 1991-06-18 US disclosed