SCHEMBL11101135

SCHEMBL11101135

CC(=O)N(c1cccnc1)c1ccccc1CCCC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 18/20 0.45
▸ TBXA2R P21731 1/20 0.39
▸ HTT P42858 1/20 0.39

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
SCHEMBL7982484 0.76 HTT (0.49) HTT
SCHEMBL7980326 0.75 PTPN1 (0.44) —
SCHEMBL27738853 0.74 CYP2A6 (0.39) HTT
SCHEMBL10374969 0.72 TBXAS1 (0.51) TBXAS1TBXA2R
SCHEMBL7978811 0.72 PTPN1 (0.46) HTT
SCHEMBL31518126 0.70 AKR1B1 (0.47) HTT
SCHEMBL2193925 0.70 GAA (0.44) TBXAS1HTT
SCHEMBL7985518 0.70 LMNA (0.51) HTT
SCHEMBL16353627 0.69 NOTUM (0.52) TBXAS1TBXA2R
SCHEMBL884611 0.68 KCNA5 (0.69) TBXAS1

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-0126401-A1 Indole compounds CIBA-GEIGY AG (CH) 1984-11-28 — — EP disclosed
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