SCHEMBL8433145

SCHEMBL8433145

CCc1cc(-c2cccc(C#N)c2)ccc1CCC(=O)OCNC=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.39
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
GRIA2 P42262 1/20 0.38
GRIA4 P48058 1/20 0.38
HRH2 P25021 1/20 0.38
HRH1 P35367 1/20 0.38
CNR2 P34972 1/20 0.37
XDH P47989 1/20 0.37
SLC22A12 Q96S37 1/20 0.37
ABL1 P00519 1/20 0.37
MMP12 P39900 1/20 0.37
MMP13 P45452 1/20 0.37
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
MME P08473 1/20 0.36
ADAMTS4 O75173 1/20 0.35
MCHR1 Q99705 1/20 0.35
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 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
SCHEMBL8536225 0.85 ADRA2C (0.40) CNR2PDCD1CD274USP7
SCHEMBL8432620 0.81 F10 (0.38)
SCHEMBL4616565 0.70 MCHR1 (0.40) MCHR1
SCHEMBL12646553 0.69 MMP12 (0.56) EGLN1GRIA2GRIA4XDHSLC22A12
SCHEMBL3466545 0.68 MMP12 (0.54) EGLN1TLR8TLR7HRH2HRH1
SCHEMBL19209418 0.67 PPARG (0.44) TLR8TLR7HRH2HRH1CNR2
SCHEMBL5426031 0.67 PTGDR2 (0.55) EGLN1MCHR1
SCHEMBL7047932 0.66 HRH2 (0.64) TLR8TLR7HRH2HRH1CNR2
SCHEMBL11116312 0.66 CYP4F2 (0.47) PDCD1CD274CYP4F2CYP4A11
SCHEMBL19209427 0.65 PPARG (0.44) TLR8TLR7HRH2HRH1CNR2

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-5952381-A SELECTIVELY INHIBITING OR ANTAGONIZING THE INTEGRINS; ANTITUMOR AGENTS, ANTIARTHRITIC AGENTS, VIRICIDES, MICROBIOCIDES; TREATING OSTEOPOROSIS, SKIN DISORDERS G. D. SEARLE & CO. (US) 1999-09-14 US disclosed