SCHEMBL8545530

SCHEMBL8545530

O=C(COC(=O)C(F)(F)F)Oc1nccc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 5/20 0.45
▸ KLK5 Q9Y337 1/20 0.41
▸ SSTR4 P31391 2/20 0.38
▸ SSTR1 P30872 1/20 0.38
▸ TRPA1 O75762 1/20 0.38
▸ FFAR1 O14842 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ RAB9A P51151 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ NCOA3 Q9Y6Q9 1/20 0.36
▸ ACACB O00763 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ CFTR P13569 1/20 0.34
▸ GOPC Q9HD26 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
SCHEMBL6859491 0.85 CNR2 (0.52) CNR2KLK5SSTR4SSTR1TRPA1
SCHEMBL27597715 0.76 KLK5 (0.46) CNR2KLK5SSTR4SSTR1TRPA1
SCHEMBL4353465 0.74 KLK5 (0.51) CNR2KLK5SSTR4SSTR1TRPA1
SCHEMBL28114917 0.73 FFAR1 (0.42) CNR2KLK5SSTR4SSTR1TRPA1
SCHEMBL761986 0.73 KLK5 (0.50) CNR2KLK5SSTR4SSTR1TRPA1
SCHEMBL27220785 0.73 KLK5 (0.53) CNR2KLK5SSTR4SSTR1TRPA1
SCHEMBL28855596 0.72 KLK5 (0.47) CNR2KLK5SSTR4SSTR1TRPA1
SCHEMBL28198079 0.71 KLK5 (0.49) CNR2KLK5SSTR4SSTR1TRPA1
SCHEMBL5716801 0.71 KLK5 (0.49) CNR2KLK5SSTR4SSTR1TRPA1
SCHEMBL2230387 0.71 KLK5 (0.49) CNR2KLK5SSTR4SSTR1TRPA1

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
EP-0804431-A4 GLYCOPROTEIN IIb/IIIa ANTAGONISTS LILLY CO ELI (US) 1998-04-29 — — EP disclosed
EP-0804431-A1 GLYCOPROTEIN IIb/IIIa ANTAGONISTS ELI LILLY AND COMPANY (US) 1997-11-05 — — EP disclosed
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