SCHEMBL8528974

SCHEMBL8528974

CC(C)(C)[Si](C)(C)OCc1ccc(C(CCCC=Cc2cccnc2)C(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 7/20 0.46
CHRNB2 P17787 2/20 0.37
CHRNA4 P43681 2/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA7 P36544 1/20 0.37
MEN1 O00255 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
ALOX15 P16050 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
NAMPT P43490 2/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
JUN P05412 1/20 0.33
MAPT P10636 1/20 0.33
NFKB1 P19838 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
SCHEMBL5156363 0.81 TBXAS1 (0.61) TBXAS1CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL5156355 0.81 TBXAS1 (0.61) TBXAS1CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL8527896 0.74 CHRNB2 (0.42) TBXAS1CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL9732341 0.73 TBXAS1 (0.68) TBXAS1CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL9732343 0.73 TBXAS1 (0.68) TBXAS1CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL29210240 0.71 L3MBTL1 (0.48) CYP2C9CYP2C19PPARGMAPT
SCHEMBL507379 0.69 SMN1; SMN2 (0.51) RAB9A
SCHEMBL9843054 0.69 TBXAS1 (0.47) TBXAS1CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL9843049 0.69 TBXAS1 (0.47) TBXAS1CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL9732628 0.67 TBXAS1 (0.56) TBXAS1CHRNB2CHRNA4CHRNB4CHRNA3

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-5849922-A Preparation of substituted alkenoic acids ELI LILLY AND COMPANY (US) 1998-12-15 US disclosed