SCHEMBL8558675

SCHEMBL8558675

O=C(O)CCc1ccc(-c2c[nH]c(=O)n2-c2ccc3cnccc3c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.41
CDK8 P49336 1/20 0.41
TBXAS1 P24557 4/20 0.39
FFAR4 Q5NUL3 2/20 0.38
SLC22A12 Q96S37 1/20 0.38
FFAR1 O14842 3/20 0.38
PRMT3 O60678 1/20 0.37
MMP2 P08253 1/20 0.36
MMP13 P45452 1/20 0.36
ADAMTS5 Q9UNA0 1/20 0.36
IKBKE Q14164 1/20 0.36
TBK1 Q9UHD2 1/20 0.36
HDAC1 Q13547 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
CYP19A1 P11511 1/20 0.35
MAPK9 P45984 1/20 0.35
MAPK10 P53779 1/20 0.35
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35

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
SCHEMBL8567188 0.77 MKNK2 (0.43) CCNCCDK8TBXAS1FFAR4SLC22A12
SCHEMBL8560143 0.76 RXRA (0.40) FFAR4FFAR1PPARDPPARA
SCHEMBL30873955 0.75 CYP1A2 (0.51) CCNCCDK8TBXAS1FFAR4SLC22A12
SCHEMBL241673 0.72 MAPT (0.67)
SCHEMBL8560440 0.65 CCNC (0.43) CCNCCDK8PRMT3HDAC1CYP19A1
SCHEMBL12646445 0.65 FFAR1 (0.69) TBXAS1FFAR4FFAR1MMP13IKBKE
SCHEMBL8561032 0.65 CCNC (0.43) CCNCCDK8PRMT3HDAC1
SCHEMBL2698312 0.64 PTGS1 (0.54) SLC22A12PRMT3CYP19A1
SCHEMBL29518295 0.64 PTGS1 (0.54) SLC22A12PRMT3CYP19A1
SCHEMBL21877369 0.64 CYP19A1 (0.46) PRMT3CYP19A1

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-5827849-A HAVING INHIBITORY EFFECT ON INFLAMMATION AND BONE DEGRADATION, ANTITHROMBOTIC, ANTIAGGREGATORY AND TUMOR- OR METASTASIS-INHIBITING EFFECT KARL THOMAE GMBH (DE) 1998-10-27 US disclosed