SCHEMBL11822909

SCHEMBL11822909

CC(=O)SC(CCC(=O)O)c1ccc(C2CCCCC2)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 9/20 0.41
▸ PTGDR Q13258 4/20 0.37
▸ PTGER2 P43116 1/20 0.37
▸ S1PR1 P21453 2/20 0.36
▸ NSD2 O96028 1/20 0.36
▸ NSD1 Q96L73 1/20 0.36
▸ NSD3 Q9BZ95 1/20 0.36
▸ LPAR5 Q9H1C0 1/20 0.36
▸ HPSE Q9Y251 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ DGAT2 Q96PD7 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ S1PR3 Q99500 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
SCHEMBL11833636 0.83 PTGDR2 (0.40) PTGDR2PTGDRPTGER2NSD2NSD1
SCHEMBL7322430 0.81 PTGDR2 (0.45) PTGDR2PTGDRPTGER2S1PR1NSD2
SCHEMBL11825598 0.81 PTGDR2 (0.45) PTGDR2PTGDRPTGER2S1PR1NSD2
SCHEMBL11835952 0.81 MITF (0.41) S1PR1S1PR3
SCHEMBL11794346 0.80 PTGDR2 (0.42) PTGDR2PTGDRPTGER2NSD2NSD1
SCHEMBL11852757 0.80 PTGDR2 (0.44) PTGDR2PTGDRPTGER2S1PR1NSD2
SCHEMBL11848738 0.77 PTGDR2 (0.42) PTGDR2PTGDRPTGER2S1PR1NSD2
SCHEMBL11567592 0.77 PTGDR2 (0.45) PTGDR2PTGDRPTGER2S1PR1NSD2
Hydrochloric Acid SCHEMBL11844291 0.76 PTGDR2 (0.41) PTGDR2PTGDRPTGER2S1PR1NSD2
SCHEMBL11700408 0.75 PTGDR2 (0.43) PTGDR2PTGDRPTGER2NSD2NSD1

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-3966801-A ANTIINFLAMMATORY AGENTS WILLIAM H. RORER, INC. (US) 1976-06-29 — — US disclosed
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