SCHEMBL11377607

SCHEMBL11377607

CC(CCCOc1ccccc1)c1cc(O)c2c(c1)OC(C)(C)C(=CO)C2=O

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GPR84 Q9NQS5 1/20 0.34
▸ RIPK1 Q13546 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.33
▸ HPGD P15428 1/20 0.31
▸ CYSLTR2 Q9NS75 1/20 0.31
▸ CYSLTR1 Q9Y271 1/20 0.31
▸ KCNA3 P22001 1/20 0.31

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
SCHEMBL11377605 1.00 GPR84 (0.34) GPR84RIPK1TDP1HPGDCYSLTR2
SCHEMBL11379615 0.95 RIPK1 (0.34) GPR84RIPK1
SCHEMBL11379612 0.95 RIPK1 (0.34) GPR84RIPK1
SCHEMBL11379703 0.87 — —
SCHEMBL11379705 0.87 — —
SCHEMBL11378760 0.86 TRPA1 (0.34) GPR84
SCHEMBL11378765 0.86 TRPA1 (0.34) GPR84
SCHEMBL11372932 0.84 RIPK1 (0.32) RIPK1
SCHEMBL11372935 0.84 RIPK1 (0.32) RIPK1
SCHEMBL11381411 0.80 RIPK1 (0.32) RIPK1

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-4243674-A HYPOTENSIVE AGENTS; ANALGESICS; ANTISECRETORY AGENTS; ANTIBODY INHIBITORS, AND TRANQUILIZERS PFIZER INC. (US) 1981-01-06 — — US disclosed
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