SCHEMBL9209060

SCHEMBL9209060

CCOC(=O)C(C)n1ccc2cc(OCc3ccc4ccccc4n3)ccc21

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 6/20 0.53
CYSLTR2 Q9NS75 3/20 0.53
GPBAR1 Q8TDU6 4/20 0.51
ALOX5 P09917 2/20 0.50
PDE4A P27815 1/20 0.50
PDE4B Q07343 1/20 0.50
PDE4C Q08493 1/20 0.50
PDE4D Q08499 1/20 0.50
PDE3B Q13370 1/20 0.50
PDE3A Q14432 1/20 0.50
CYP1A2 P05177 2/20 0.48
PDE10A Q9Y233 2/20 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
SCHEMBL3688245 0.83 LMNA (0.54)
SCHEMBL9209194 0.82 CYSLTR1 (0.59) CYSLTR1CYSLTR2GPBAR1ALOX5CYP1A2
SCHEMBL9202167 0.81 GPBAR1 (0.53) CYSLTR1CYSLTR2GPBAR1ALOX5PDE4A
SCHEMBL9209065 0.80 CYSLTR1 (0.63) CYSLTR1CYSLTR2GPBAR1ALOX5CYP1A2
SCHEMBL10635186 0.78 CYSLTR1 (0.64) CYSLTR1CYSLTR2GPBAR1ALOX5CYP1A2
SCHEMBL3683044 0.77 NPSR1 (0.42)
SCHEMBL10635332 0.77 CYSLTR1 (0.70) CYSLTR1CYSLTR2GPBAR1ALOX5
SCHEMBL9199452 0.75 GPBAR1 (0.59) CYSLTR1CYSLTR2GPBAR1CYP1A2PDE10A
SCHEMBL9209068 0.75 CYSLTR1 (0.53) CYSLTR1CYSLTR2GPBAR1ALOX5PDE4A
SCHEMBL6706690 0.75 PTPN1 (0.44) CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0544821-B1 INDOLE DERIVATIVES AS ANTIALLERGY AND ANTIINFLAMMATORY AGENTS PFIZER (US) 1995-01-11 EP disclosed
US-5290788-A Indole derivatives as antiallergy and antiinflammatory agents PFIZER INC. (US) 1994-03-01 US disclosed