SCHEMBL7254338

SCHEMBL7254338

[O]C1CC[C@@H](c2cc3cc(C(F)(F)F)ccc3o2)O1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.46
PIM2 Q9P1W9 1/20 0.46
MAOA P21397 1/20 0.41
HRH3 Q9Y5N1 5/20 0.39
ADAMTS4 O75173 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP7 P09237 1/20 0.36
MMP9 P14780 1/20 0.36
MMP12 P39900 1/20 0.36
MMP13 P45452 1/20 0.36
MMP14 P50281 1/20 0.36
ADAMTS5 Q9UNA0 1/20 0.36
MAOB P27338 2/20 0.36
PGR P06401 1/20 0.34
SLC6A3 Q01959 1/20 0.32
FFAR1 O14842 1/20 0.32
TBK1 Q9UHD2 1/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL7088408 0.84 PIM1 (0.46) PIM1PIM2MAOAHRH3ADAMTS4
SCHEMBL7085848 0.77 PIM1 (0.45) PIM1PIM2MAOAHRH3ADAMTS4
SCHEMBL7134911 0.76 PIM1 (0.36) PIM1PIM2MAOAHRH3ADAMTS4
SCHEMBL7090634 0.74 PIM1 (0.38) PIM1PIM2MAOAHRH3ADAMTS4
SCHEMBL7089641 0.74 PIM1 (0.38) PIM1PIM2MAOAHRH3ADAMTS4
SCHEMBL10901812 0.70 MAOA (0.43) PIM1PIM2MAOAHRH3SLC6A3
SCHEMBL7088186 0.70 PIM1 (0.34) PIM1PIM2MAOAHRH3ADAMTS4
SCHEMBL7085825 0.70 PIM1 (0.34) PIM1PIM2MAOAHRH3ADAMTS4
SCHEMBL7091719 0.70 PIM1 (0.34) PIM1PIM2MAOAHRH3ADAMTS4
SCHEMBL7132800 0.69 HRH3 (0.33) PIM1PIM2MAOAHRH3

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
WO-2003011848-A1 BENZOHETEROCYCLES AS LIPOXYGENASE INHITIBORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2003-02-13 WO disclosed