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Sugi Predict / Compounds / SCHEMBL3672556

SCHEMBL3672556

SCHEMBL3672556

CN(Cc1cc(C(F)(F)F)cc(-c2ccccc2)c1[O])C(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 14/20 0.55
▸ GPBAR1 Q8TDU6 4/20 0.48
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ MLYCD O95822 1/20 0.44

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
SCHEMBL3668571 0.90 GPBAR1 (0.52) TACR1GPBAR1
SCHEMBL3672557 0.88 TACR1 (0.55) TACR1GPBAR1MEN1KMT2AMLYCD
SCHEMBL3665166 0.83 TACR1 (0.47) TACR1GPBAR1MEN1KMT2A
SCHEMBL3674357 0.83 MTOR (0.56) TACR1
SCHEMBL3669056 0.82 TACR1 (0.43) TACR1GPBAR1MEN1KMT2A
SCHEMBL3671389 0.79 TACR1 (0.43) TACR1GPBAR1
SCHEMBL3668574 0.79 GPBAR1 (0.52) TACR1GPBAR1
SCHEMBL7553631 0.78 KMT2A (0.55) TACR1MEN1KMT2A
SCHEMBL3671609 0.75 MLYCD (0.52) TACR1MEN1KMT2AMLYCD
SCHEMBL3671611 0.73 PDK1 (0.54) TACR1MEN1KMT2AMLYCD

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