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Sugi Predict / Compounds / SCHEMBL3669189

SCHEMBL3669189

SCHEMBL3669189

CN(Cc1cc(C(F)(F)F)cc(-c2ccccc2)c1O)C(=O)Oc1ccccn1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 11/20 0.44
▸ LIPE Q05469 1/20 0.42
▸ GPBAR1 Q8TDU6 5/20 0.40
▸ PTGDR2 Q9Y5Y4 2/20 0.39
▸ BACE1 P56817 1/20 0.37

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
SCHEMBL3665168 0.86 TACR1 (0.47) TACR1LIPEGPBAR1PTGDR2BACE1
SCHEMBL3671902 0.78 LIPE (0.46) TACR1LIPEPTGDR2
SCHEMBL3669059 0.78 TACR1 (0.43) TACR1GPBAR1PTGDR2
SCHEMBL3672557 0.78 TACR1 (0.55) TACR1GPBAR1
SCHEMBL3671898 0.76 LIPE (0.46) TACR1LIPEPTGDR2
SCHEMBL3668574 0.75 GPBAR1 (0.52) TACR1GPBAR1
SCHEMBL3674358 0.75 MTOR (0.56) TACR1
SCHEMBL3665166 0.75 TACR1 (0.47) TACR1LIPEGPBAR1PTGDR2BACE1
SCHEMBL1948039 0.75 PTGDR2 (0.57) LIPEPTGDR2
SCHEMBL3671391 0.72 TACR1 (0.43) TACR1GPBAR1PTGDR2

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-2240434-A1 2-PHENYL PHENOXYACETIC ACIDS USEFUL FOR TREATING INFLAMMATORY DISORDERS Ligand Pharmaceuticals Inc. (US) 2010-10-20 — — EP claimed
WO-2009089192-A1 2-PHENYL PHENOXYACETIC ACIDS USEFUL FOR TREATING INFLAMMATORY DISORDERS LIGAND PHARMACEUTICALS INC. (US) 2009-07-16 — — WO claimed