SCHEMBL3671611

SCHEMBL3671611

CN(Cc1cccc(-c2cc(C(F)(F)F)ccc2O)c1)C(=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.54
MLYCD O95822 1/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
TACR1 P25103 4/20 0.51
HSD17B2 P37059 7/20 0.50
HSD17B1 P14061 6/20 0.50
ERN1 O75460 1/20 0.46
TRPM8 Q7Z2W7 1/20 0.46
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45

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
SCHEMBL3671609 0.89 MLYCD (0.52) PDK1MLYCDMEN1KMT2ATACR1
SCHEMBL3670286 0.88 HSD17B1 (0.45) PDK1MLYCDMEN1KMT2ATACR1
SCHEMBL3666876 0.84 ABHD6 (0.54) PDK1MEN1KMT2ATACR1HSD17B2
SCHEMBL3668638 0.84 MTOR (0.64) MEN1KMT2ATACR1
SCHEMBL1947876 0.84 PTGDR2 (0.64) MLYCDMEN1KMT2ATACR1
SCHEMBL3667571 0.81 MGLL (0.42) PDK1MEN1KMT2ATACR1HSD17B2
SCHEMBL3666867 0.80 HDAC6 (0.56) PDK1MEN1KMT2ATACR1HDAC6
SCHEMBL3668839 0.80 NR1H3 (0.53) MEN1KMT2AHSD17B2HSD17B1HDAC4
SCHEMBL3672481 0.79 MTOR (0.43) PDK1TACR1HDAC3HDAC1HDAC2
SCHEMBL3671902 0.78 LIPE (0.46) PDK1TACR1

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