SCHEMBL13951449

SCHEMBL13951449

Bc1ccc([C@@H](O)CCCCC)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR2 O95136 1/20 0.44
▸ S1PR1 P21453 1/20 0.44
▸ S1PR3 Q99500 1/20 0.44
▸ LPAR2 Q9HBW0 1/20 0.44
▸ LMNA P02545 1/20 0.42
▸ PTGER2 P43116 5/20 0.41
▸ CACNA1F O60840 1/20 0.40
▸ CHRM2 P08172 1/20 0.40
▸ ADRA2B P18089 1/20 0.40
▸ ADRA2C P18825 1/20 0.40
▸ CHRM3 P20309 1/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ DRD3 P35462 1/20 0.40
▸ CACNA1D Q01668 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ CACNA1S Q13698 1/20 0.40
▸ CACNA1C Q13936 1/20 0.40
▸ CSNK1E P49674 1/20 0.40
▸ CA2 P00918 1/20 0.40

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
SCHEMBL9121212 0.82 TAAR1 (0.52) LMNACHRM2ADRA2BADRA2CCHRM3
SCHEMBL6207044 0.82 S1PR2 (0.46) S1PR2S1PR1S1PR3LPAR2PTGER2
SCHEMBL13232166 0.82 S1PR2 (0.46) S1PR2S1PR1S1PR3LPAR2LMNA
SCHEMBL5672614 0.80 S1PR2 (0.44) S1PR2S1PR1S1PR3LPAR2LMNA
SCHEMBL12420337 0.80 S1PR2 (0.48) S1PR2S1PR1S1PR3LPAR2PTGER2
SCHEMBL23588163 0.80 AOC3 (0.50) S1PR2S1PR1S1PR3LPAR2LMNA
SCHEMBL8102586 0.80 AOC3 (0.50) S1PR2S1PR1S1PR3LPAR2PTGER2
SCHEMBL3945304 0.80 S1PR2 (0.44) S1PR2S1PR1S1PR3LPAR2PTGER2
SCHEMBL14717561 0.80 S1PR2 (0.48) S1PR2S1PR1S1PR3LPAR2PTGER2
SCHEMBL12087597 0.80 HIF1A (0.52) S1PR2S1PR1S1PR3LPAR2LMNA

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
EP-1716113-B1 EP2- RECEPTOR AGONISTS ASTERAND UK LTD (GB) 2009-02-25 — — EP disclosed
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