SCHEMBL8905914

SCHEMBL8905914

Cn1c(Cc2ccc(=O)[nH]n2)ccc1C(=O)c1ccc(CC(N)=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CXCL8 P10145 1/20 0.44
AKR1B1 P15121 1/20 0.44
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
GLO1 Q04760 1/20 0.44
HPGD P15428 1/20 0.42
CYP3A4 P08684 2/20 0.32
CA2 P00918 1/20 0.31
CYP2C19 P33261 1/20 0.30
PDE4B Q07343 1/20 0.30
NTRK1 P04629 1/20 0.30

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
SCHEMBL8904821 0.88 CXCL8 (0.41) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL8905800 0.88 AKR1B1 (0.54) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL8905896 0.84 PTGS2 (0.41) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL8905930 0.84 AKR1B1 (0.41) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL8904190 0.84 AKR1B1 (0.41) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL8904844 0.84 AKR1B1 (0.43) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL9030256 0.83 CXCL8 (0.40) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL8904566 0.83 NPC1 (0.40) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL8905995 0.83 CXCL8 (0.40) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL8905554 0.83 LMNA (0.45) CXCL8AKR1B1PTGS1PTGS2GLO1

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-5622948-A ANALGESICS SYNTEX (U.S.A.) INC. (US) 1997-04-22 US disclosed