SCHEMBL8054574

SCHEMBL8054574

CC1=Cc2c(-c3ccncc3)cc(F)cc2C1CC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
MAPK14 Q16539 7/20 0.35
CTSA P10619 1/20 0.35
GCGR P47871 3/20 0.33
PTGDR2 Q9Y5Y4 2/20 0.33
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
NLRP3 Q96P20 1/20 0.33
IKBKB O14920 1/20 0.32
CHUK O15111 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL8054627 0.82
SCHEMBL22802379 0.63 NLRP3 (0.53) AKR1C3AKR1C2MAPK14CTSAPTGDR2
SCHEMBL28133835 0.60 ALDH1A1 (0.56) AKR1C3AKR1C2MAPK14GCGRIKBKB
SCHEMBL21052450 0.60 HTT (0.49) MAPK14GCGRIKBKBCHUKALDH1A1
SCHEMBL3741185 0.60 PTGDR2 (0.49) AKR1C3AKR1C2MAPK14GCGRPTGDR2
SCHEMBL1453561 0.60 LMNA (0.31)
SCHEMBL1452325 0.59
Hydrochloric Acid SCHEMBL14840881 0.59 ALDH1A1 (0.55) AKR1C3AKR1C2MAPK14GCGRIKBKB
SCHEMBL2645320 0.59 MAPK14 (0.54) AKR1C3AKR1C2MAPK14GCGRIKBKB
SCHEMBL30664877 0.59 MAPK14 (0.59) MAPK14GCGRALDH1A1HPGDHSD17B10

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-6020379-A Position 7 substituted indenyl-3-acetic acid derivatives and amides thereof for the treatment of neoplasia CELL PATHWAYS, INC. (US) 2000-02-01 US disclosed