SCHEMBL3670286

SCHEMBL3670286

CN(Cc1cccc(-c2cc(C(F)(F)F)ccc2O)c1)C(=O)c1cccnc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 4/20 0.45
HSD17B2 P37059 4/20 0.45
TRPV4 Q9HBA0 1/20 0.43
PDK1 Q15118 2/20 0.43
TACR1 P25103 5/20 0.43
MLYCD O95822 1/20 0.42
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
GPBAR1 Q8TDU6 1/20 0.41
MEN1 O00255 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41
MGLL Q99685 1/20 0.41
BRAF P15056 1/20 0.41
HIF1A Q16665 1/20 0.41
EPAS1 Q99814 1/20 0.41
VNN1 O95497 1/20 0.41

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
SCHEMBL3670285 0.90 TRPV4 (0.43) HSD17B1HSD17B2TRPV4TACR1MLYCD
SCHEMBL3671611 0.88 PDK1 (0.54) HSD17B1HSD17B2PDK1TACR1MLYCD
SCHEMBL1950917 0.85 PTGDR2 (0.54) TRPV4
SCHEMBL3671698 0.80 NAMPT (0.53) HSD17B1HSD17B2KMT2A
SCHEMBL3671609 0.78 MLYCD (0.52) HSD17B1HSD17B2PDK1TACR1MLYCD
SCHEMBL3668574 0.77 GPBAR1 (0.52) TRPV4TACR1GPBAR1
SCHEMBL3667571 0.76 MGLL (0.42) HSD17B1HSD17B2PDK1TACR1MEN1
SCHEMBL3666332 0.76 MTOR (0.47) TACR1MGLLBRAF
SCHEMBL3671902 0.76 LIPE (0.46) PDK1TACR1MGLLBRAF
SCHEMBL3666876 0.75 ABHD6 (0.54) HSD17B2PDK1TACR1MEN1KMT2A

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 disclosed
WO-2009089192-A1 2-PHENYL PHENOXYACETIC ACIDS USEFUL FOR TREATING INFLAMMATORY DISORDERS LIGAND PHARMACEUTICALS INC. (US) 2009-07-16 WO disclosed