SCHEMBL7388461

SCHEMBL7388461

N#Cc1cccc(OCCCCCOc2cccc(C#N)c2)c1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.56
PRSS1 P07477 6/20 0.50
KCNA3 P22001 1/20 0.50
HRH1 P35367 1/20 0.47
CCR3 P51677 1/20 0.47

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
SCHEMBL30826996 0.92 TBXAS1 (0.50) TBXAS1PRSS1
SCHEMBL7088226 0.92 TBXAS1 (0.50) TBXAS1PRSS1KCNA3HRH1CCR3
SCHEMBL22120309 0.92 TBXAS1 (0.50) TBXAS1PRSS1
SCHEMBL5988834 0.92 TBXAS1 (0.50) TBXAS1PRSS1
SCHEMBL6957299 0.92 TSHR (0.59) TBXAS1
SCHEMBL25168671 0.92 TSHR (0.59) TBXAS1
SCHEMBL14034743 0.92 TSHR (0.59) TBXAS1
SCHEMBL11033727 0.92 TBXAS1 (0.50) TBXAS1PRSS1
SCHEMBL6960220 0.92 TSHR (0.59) TBXAS1
SCHEMBL690259 0.91 TBXAS1 (0.52) TBXAS1PRSS1KCNA3HRH1CCR3

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
US-6221914-B1 ANTIINFLAMMATORY AGENTS ARRAY BIOPHARMA INC. 2001-04-24 US disclosed
WO-1999024395-A1 COMPOUNDS WHICH INHIBIT TRYPTASE ACTIVITY ARRAY BIOPHARMA, INC. (US) 1999-05-20 WO disclosed