SCHEMBL10374969

SCHEMBL10374969

CN(C(=O)c1cccnc1)c1ccccc1CCCCCCC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 20/20 0.51
▸ TBXA2R P21731 1/20 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
SCHEMBL11257623 0.83 HDAC3 (0.45) —
SCHEMBL11259485 0.79 LTB4R (0.44) TBXAS1
SCHEMBL11256211 0.77 PPARG (0.42) —
SCHEMBL11268722 0.77 GPBAR1 (0.47) TBXAS1TBXA2R
SCHEMBL11263458 0.76 GPBAR1 (0.45) —
SCHEMBL11267185 0.76 GPBAR1 (0.48) TBXAS1TBXA2R
SCHEMBL11255842 0.75 ALDH1A1 (0.40) —
SCHEMBL11101135 0.72 TBXAS1 (0.45) TBXAS1TBXA2R
SCHEMBL11263791 0.72 GPBAR1 (0.48) TBXAS1TBXA2R
SCHEMBL3380708 0.72 HDAC1 (0.70) TBXAS1TBXA2R

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-0129051-B1 SUBSTITUTED INDOLES CIBA-GEIGY AG (CH) 1990-07-04 — — EP disclosed
EP-0129051-A2 Substituted indoles CIBA-GEIGY AG (CH) 1984-12-27 — — EP disclosed
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