SCHEMBL10546022

SCHEMBL10546022

COc1cccc2ccc(COc3cccc(C(=O)O)c3)nc12

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 3/20 0.65
▸ CYSLTR1 Q9Y271 2/20 0.65
▸ PPARD Q03181 1/20 0.54
▸ MRGPRX4 Q96LA9 3/20 0.52
▸ NR4A2 P43354 2/20 0.51
▸ LTB4R Q15722 1/20 0.50
▸ PPARG P37231 1/20 0.50
▸ PDE10A Q9Y233 1/20 0.49
▸ VDR P11473 1/20 0.48
▸ KMT2A Q03164 1/20 0.48

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
SCHEMBL10546686 0.81 CYSLTR1 (0.53) GPBAR1CYSLTR1PPARDNR4A2LTB4R
SCHEMBL30444017 0.79 CYSLTR1 (1.00) GPBAR1CYSLTR1KMT2A
SCHEMBL422355 0.79 CYSLTR1 (1.00) GPBAR1CYSLTR1KMT2A
SCHEMBL10546719 0.79 CYSLTR1 (0.72) GPBAR1CYSLTR1MRGPRX4PPARGVDR
SCHEMBL10547024 0.79 PDE10A (0.49) GPBAR1CYSLTR1MRGPRX4PDE10AKMT2A
SCHEMBL10919443 0.78 GPBAR1 (0.47) GPBAR1CYSLTR1PDE10A
Hydrochloric Acid SCHEMBL7006935 0.78 CYSLTR1 (0.97) GPBAR1CYSLTR1KMT2A
SCHEMBL10543676 0.77 PDE10A (0.57) CYSLTR1PDE10AKMT2A
SCHEMBL8182867 0.77 CYSLTR2 (0.80) CYSLTR1
SCHEMBL7009714 0.76 CYSLTR1 (0.70) GPBAR1CYSLTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4631287-A Aryl and heteroaryl ethers as agents for the treatment of hypersensitive ailments USV PHARMACEUTICAL CORP. (US) 1986-12-23 — — US claimed
EP-0200101-A2 Aryl and heteroaryl ethers as agents for the treatment of hypersensitive aliments USV PHARMACEUTICAL CORPORATION (US) 1986-11-05 — — EP claimed
US-4839369-A ANTIINFLAMMATORY AGENTS; ANTIALLERGENS RORER PHARMACEUTICAL CORPORATION (US) 1989-06-13 — — US disclosed
US-4728668-A Aryl and heteroaryl ethers as agents for the treatment of hypersensitive ailments USV PHARMACEUTICAL CORPORATION (US) 1988-03-01 — — US disclosed
US-4725619-A Aryl and heteroaryl ethers as agents for the treatment of hypersensitive ailments USV PHARMACEUTICAL CORPORATION (US) 1988-02-16 — — US disclosed
US-4631287-A Aryl and heteroaryl ethers as agents for the treatment of hypersensitive ailments USV PHARMACEUTICAL CORP. (US) 1986-12-23 — — US disclosed
EP-0200101-A2 Aryl and heteroaryl ethers as agents for the treatment of hypersensitive aliments USV PHARMACEUTICAL CORPORATION (US) 1986-11-05 — — EP disclosed
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