SCHEMBL9869500

SCHEMBL9869500

CCCCC(C/C=C/c1cccnc1)CC(O[Si](C)(C)CCCC)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.42
CHRNA4 P43681 2/20 0.42
TBXAS1 P24557 2/20 0.40
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HDAC3 O15379 4/20 0.35
NCOR2 Q9Y618 4/20 0.35
HDAC1 Q13547 3/20 0.35
HDAC2 Q92769 3/20 0.35
NAMPT P43490 1/20 0.35
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
SCHEMBL9869505 0.79 TBXAS1 (0.44) CHRNB2CHRNA4TBXAS1HPGDSMN1; SMN2
SCHEMBL9843058 0.74 CHRNB2 (0.40) CHRNB2CHRNA4TBXAS1KDM4ENPC1
SCHEMBL9869512 0.72 TBXAS1 (0.39) CHRNB2CHRNA4TBXAS1HPGDSMN1; SMN2
SCHEMBL6943288 0.70 TBXAS1 (0.42) CHRNB2CHRNA4TBXAS1HPGDSMN1; SMN2
SCHEMBL3023967 0.69 CHRNB2 (0.55) CHRNB2CHRNA4TBXAS1KDM4ENPC1
SCHEMBL3023965 0.69 CHRNB2 (0.55) CHRNB2CHRNA4TBXAS1KDM4ENPC1
SCHEMBL31506479 0.68 CHRNB2 (0.61) CHRNB2CHRNA4TBXAS1KDM4ENPC1
SCHEMBL10399144 0.68 CHRNB2 (0.61) CHRNB2CHRNA4TBXAS1KDM4ENPC1
SCHEMBL4665075 0.68 CHRNB2 (0.61) CHRNB2CHRNA4TBXAS1KDM4ENPC1
SCHEMBL4665081 0.68 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
US-5025025-A Cardiovascular disorders CIBA-GEIGY CORPORATION (US) 1991-06-18 US disclosed