SCHEMBL6748495

SCHEMBL6748495

CC(OCC(F)(F)F)(C(=O)O)c1ccccc1OCCNCc1nc2ccccc2o1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NMT2 O60551 4/20 0.40
▸ NMT1 P30419 4/20 0.40
▸ KDM4E B2RXH2 4/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ MAPK1 P28482 3/20 0.39
▸ GAA P10253 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ SLC40A1 Q9NP59 1/20 0.39
▸ PPARG P37231 2/20 0.35
▸ DRD2 P14416 1/20 0.35
▸ DRD4 P21917 1/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35

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
SCHEMBL3909702 0.75 PPARG (0.49) MAPK1TDP1SLC40A1PPARGDRD4
SCHEMBL377363 0.71 PPARG (0.66) PPARG
SCHEMBL377531 0.71 PPARG (0.66) PPARG
Trifluoroacetic Acid SCHEMBL7711566 0.70 PPARG (0.50) PPARG
SCHEMBL31430627 0.67 NPC1 (0.56) ALDH1A1GAAHTTSLC40A1DRD2
SCHEMBL3798973 0.66 NPC1 (0.45) ALDH1A1MAPK1GAATDP1HTT
SCHEMBL5274283 0.66 NPC1 (0.44) KDM4EALDH1A1DRD2DRD4DRD3
Trifluoroacetic Acid SCHEMBL7705739 0.66 PPARG (0.43) PPARG
SCHEMBL2786491 0.66 PPARG (0.53) PPARGDRD4
SCHEMBL7922696 0.66 PPARG (0.64) ALDH1A1PPARGDRD4RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040171692-A1 Modulation of bone formation ANDREW SCUTT (GB) 2004-09-02 — — US claimed
JP-2003522787-A — — 2003-07-29 — — JP claimed
US-20030139372-A1 Modulation of bone formation UNIVERSITY OF SHEFFIELD (GB) 2003-07-24 — — US claimed
EP-1259233-A1 MODULATION OF BONE FORMATION THE UNIVERSITY OF SHEFFIELD (GB) 2002-11-27 — — EP claimed
WO-2001060355-A1 MODULATION OF BONE FORMATION UNIVERSITY OF SHEFFIELD (GB) 2001-08-23 — — WO claimed
US-20040171692-A1 Modulation of bone formation ANDREW SCUTT (GB) 2004-09-02 — — US disclosed
US-20030139372-A1 Modulation of bone formation UNIVERSITY OF SHEFFIELD (GB) 2003-07-24 — — US disclosed
EP-1259233-A1 MODULATION OF BONE FORMATION THE UNIVERSITY OF SHEFFIELD (GB) 2002-11-27 — — EP disclosed
WO-2001060355-A1 MODULATION OF BONE FORMATION UNIVERSITY OF SHEFFIELD (GB) 2001-08-23 — — WO disclosed
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