SCHEMBL7173273

SCHEMBL7173273

OCCC1OC1Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TLR9 Q9NR96 1/20 0.42
▸ TDP1 Q9NUW8 2/20 0.41
▸ SLC6A2 P23975 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ SLC6A3 Q01959 1/20 0.40
▸ TSHR P16473 1/20 0.39
▸ FASN P49327 1/20 0.39
▸ GBA1 P04062 2/20 0.36
▸ CTRB1 P17538 1/20 0.36
▸ PDE4D Q08499 1/20 0.35
▸ SLC5A2 P31639 2/20 0.33
▸ LTB4R Q15722 1/20 0.33
▸ LTB4R2 Q9NPC1 1/20 0.33

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
SCHEMBL31231840 0.85 TLR9 (0.47) TLR9SLC6A2SLC6A4SLC6A3TSHR
SCHEMBL5195874 0.83 TSHR (0.42) TLR9TDP1SLC6A2SLC6A4SLC6A3
SCHEMBL1493181 0.83 TSHR (0.42) TLR9TDP1SLC6A2SLC6A4SLC6A3
SCHEMBL8310780 0.83 TSHR (0.42) TLR9TDP1SLC6A2SLC6A4SLC6A3
SCHEMBL5195871 0.83 TSHR (0.42) TLR9TDP1SLC6A2SLC6A4SLC6A3
SCHEMBL7173277 0.78 MEN1 (0.44) TLR9SLC6A2SLC6A4SLC6A3TSHR
SCHEMBL15553027 0.77 TLR9 (0.47) TLR9TDP1TSHRFASN
SCHEMBL15549575 0.77 TLR9 (0.47) TLR9TDP1TSHRFASN
SCHEMBL18802162 0.77 TLR9 (0.47) TLR9TDP1TSHRFASN
SCHEMBL31595612 0.75 TP53 (0.42) TLR9SLC6A2SLC6A4SLC6A3FASN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0988789-B1 Reduced pitting microbicide formulation ROHM & HAAS (US) 2003-08-27 — — EP claimed
EP-0923564-A4 PHARMACEUTICAL COMPOUNDS LILLY CO ELI (US) 1999-12-08 — — EP disclosed
EP-0923564-A1 PHARMACEUTICAL COMPOUNDS ELI LILLY AND COMPANY (US) 1999-06-23 — — EP disclosed
WO-1998008829-A1 PHARMACEUTICAL COMPOUNDS ELI LILLY AND COMPANY (US) 1998-03-05 — — WO disclosed
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