SCHEMBL8536932

SCHEMBL8536932

CCOC(CNC(=O)Nc1ccc(F)cc1F)OCC

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.58
POLB P06746 2/20 0.53
EPHX1 P07099 1/20 0.52
RAB9A P51151 6/20 0.51
NPC1 O15118 5/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
LMNA P02545 2/20 0.51
MAPT P10636 1/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
ATM Q13315 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
RECQL P46063 1/20 0.49
HTT P42858 2/20 0.48

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
SCHEMBL11422683 0.80 PKM (0.66) PKMRAB9ANPC1SMN1; SMN2LMNA
SCHEMBL11432520 0.77 PKM (0.62) PKMRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL8540230 0.77 PKM (0.56) PKMPOLBRAB9ANPC1SMN1; SMN2
SCHEMBL22439639 0.75 LMNA (0.48) PKMRAB9ANPC1SMN1; SMN2LMNA
SCHEMBL27193044 0.74 RAB9A (0.77) PKMPOLBRAB9ANPC1SMN1; SMN2
SCHEMBL27265696 0.73 EPHX2 (0.69) PKMEPHX1RAB9AMEN1KMT2A
SCHEMBL4129794 0.73 EPHX2 (0.69) PKMEPHX1RAB9AMEN1KMT2A
SCHEMBL2711694 0.73 PKM (0.57) PKMPOLBRAB9ANPC1SMN1; SMN2
SCHEMBL9175285 0.73 CYP1A2 (0.61) PKMPOLBRAB9ANPC1SMN1; SMN2
SCHEMBL4913207 0.72 MAPT (0.77) POLBRAB9ANPC1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5792780-A FUNGICIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-08-11 US disclosed
EP-0567982-B1 Azole compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1998-07-01 EP disclosed
EP-0657449-B1 Azole compounds, their production and use as antifungal agents TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1998-04-08 EP disclosed
US-5545652-A Triazole and imidazole compounds and their use as antifungal therapeutic agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-08-13 US disclosed
US-5466820-A Fungicides TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-11-14 US disclosed
EP-0657449-A1 Azole compounds, their production and use as antifungal agents Takeda Chemical Industries, Ltd. (JP) 1995-06-14 EP disclosed
US-5371101-A Fungicides TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-12-06 US disclosed
EP-0567982-A1 Azole compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1993-11-03 EP disclosed