SCHEMBL13718816

SCHEMBL13718816

CBc1cccc(C(=O)Oc2c(F)c(F)c(C(=O)NCc3ccccc3)c(F)c2F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.54
▸ HDAC8 Q9BY41 3/20 0.43
▸ HDAC6 Q9UBN7 3/20 0.43
▸ LMNA P02545 2/20 0.43
▸ HDAC2 Q92769 2/20 0.43
▸ HDAC3 O15379 2/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ HTT P42858 2/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ CFD P00746 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HDAC4 P56524 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC7 Q8WUI4 1/20 0.39
▸ HDAC10 Q969S8 1/20 0.39
▸ HDAC11 Q96DB2 1/20 0.39

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
SCHEMBL13718890 0.85 TSHR (0.56) TSHRHDAC8HDAC6LMNAHDAC2
SCHEMBL14508383 0.77 TSHR (0.65) TSHRHDAC8HDAC6HDAC3ALDH1A1
SCHEMBL14210116 0.70 HPGD (0.50) TSHRHDAC8HDAC6LMNAHDAC3
SCHEMBL13718488 0.69 TSHR (0.84) TSHRHDAC8HDAC6LMNAHDAC2
SCHEMBL5675604 0.67 SLC2A1 (0.53) TSHRHDAC8HDAC6LMNAALDH1A1
SCHEMBL28328422 0.66 TSHR (0.72) TSHRHDAC8HDAC6HDAC2ALDH1A1
SCHEMBL13501297 0.66 MMP13 (0.61) HDAC8HDAC6HDAC2KMT2ASMN1; SMN2
SCHEMBL11900328 0.66 HDAC6 (0.87) HDAC8HDAC6HDAC2HDAC3ALDH1A1
SCHEMBL3029989 0.66 CFD (0.69) HDAC8HDAC6HDAC2ALDH1A1HSD17B10
SCHEMBL7086238 0.66 TSHR (0.54) TSHRLMNAALDH1A1HSD17B10GAA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1089988-B1 FLUOROPHENYL RESIN COMPOUNDS AVENTIS PHARMA INC (US) 2009-08-12 — — EP disclosed
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