SCHEMBL8762997

SCHEMBL8762997

CCC12C(=O)C(Cc3cc(F)ccc3F)CC1C2C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.38
DPP4 P27487 11/20 0.35
DPP7 Q9UHL4 3/20 0.35
DPP8 Q6V1X1 4/20 0.35
DPP9 Q86TI2 3/20 0.35
HTT P42858 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
MMP12 P39900 1/20 0.33
HSD11B1 P28845 1/20 0.33
RAB9A P51151 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
SCHEMBL8764456 0.91 TRPA1 (0.36) RIPK1ALDH1A1HSD11B1
SCHEMBL8763886 0.85 P2RX7 (0.37) RIPK1
SCHEMBL8764701 0.84 HSD11B1 (0.37) HTTHSD11B1
SCHEMBL8763626 0.83 GRM2 (0.36) RIPK1HSD11B1
SCHEMBL8763834 0.82
SCHEMBL8763796 0.82 GRM2 (0.35)
SCHEMBL8762717 0.81 GRM2 (0.44) ALDH1A1
SCHEMBL8762591 0.78 HSD11B1 (0.37) HTTALDH1A1CYP3A4HSD11B1RAB9A
SCHEMBL8764380 0.77 TSHR (0.41) ALDH1A1HSD11B1
SCHEMBL8763981 0.76 P2RX7 (0.40)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997017950-A1 SHOULDER PROSTHESIS ELI LILLY AND COMPANY (US) 1997-05-22 WO disclosed
EP-0774455-A1 Excitatory amino acid receptor antagonists ELI LILLY AND COMPANY (US) 1997-05-21 EP disclosed