SCHEMBL7683035

SCHEMBL7683035

CC(=O)C(C(=O)O)c1c(F)cccc1F

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.44
CES1 P23141 4/20 0.44
SRC P12931 1/20 0.40
ALB P02768 1/20 0.38
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
BCHE P06276 1/20 0.36
TTR P02766 1/20 0.36
ITGB2 P05107 1/20 0.35
ICAM1 P05362 1/20 0.35
ITGAL P20701 1/20 0.35
ERN1 O75460 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
SCHEMBL5254396 0.88 MAPK1 (0.39) CES2CES1ITGB2ICAM1ITGAL
SCHEMBL5250437 0.87 CES2 (0.50) CES2CES1SRCALBLMNA
SCHEMBL7676477 0.85 AKR1C3 (0.41) CES2CES1
SCHEMBL7479581 0.84 CES2 (0.44) CES2CES1ALBBCHEITGB2
SCHEMBL8209123 0.78 CES2 (0.44) CES2CES1SRCLMNASMN1; SMN2
SCHEMBL6873558 0.78 CES2 (0.43) CES2CES1SRCALBLMNA
SCHEMBL1723267 0.77 NLRP3 (0.43) CES2CES1LMNASMN1; SMN2
SCHEMBL13170115 0.75 CES2 (0.62) CES2CES1ALBLMNABCHE
SCHEMBL15645990 0.75 CES2 (0.47) CES2CES1ALBLMNASMN1; SMN2
SCHEMBL15645912 0.75 CES2 (0.47) CES2CES1ALBLMNASMN1; SMN2

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-6358971-B1 FOR INHIBITING THE GROWTH OF A PICORNAVIRUS ELI LILLY AND COMPANY 2002-03-19 US disclosed