SCHEMBL8941546

SCHEMBL8941546

O=S(=O)(c1ccc(Oc2cccc(Oc3cccc(C(F)(F)F)c3)c2)cc1)C(F)(F)F

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.53
PGR P06401 1/20 0.53
AR P10275 1/20 0.53
ESR2 Q92731 1/20 0.53
MMP2 P08253 1/20 0.50
MMP3 P08254 1/20 0.50
MMP9 P14780 1/20 0.50
MMP8 P22894 1/20 0.50
MMP13 P45452 1/20 0.50
MMP14 P50281 1/20 0.50
KIF11 P52732 1/20 0.49
LTA4H P09960 1/20 0.46
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MCOLN3 Q8TDD5 1/20 0.46
FDFT1 P37268 2/20 0.45
KDM4E B2RXH2 1/20 0.44
PTPRZ1 P23471 1/20 0.44

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
SCHEMBL8941541 0.91 PTPRZ1 (0.51) NR3C1PGRARESR2MMP2
SCHEMBL8941500 0.91 PTPRZ1 (0.51) NR3C1PGRARESR2MMP2
SCHEMBL9778945 0.88 NR3C1 (0.56) NR3C1PGRARESR2MMP2
SCHEMBL8941672 0.88 SOS1 (0.51) NR3C1PGRARESR2PTPRZ1
SCHEMBL8855050 0.86 NR3C1 (0.57) NR3C1PGRARESR2MMP2
SCHEMBL9778977 0.86 NR3C1 (0.57) NR3C1PGRARESR2MMP2
SCHEMBL8941664 0.85 NR3C1 (0.53) NR3C1PGRARESR2MMP2
SCHEMBL30702473 0.84 NR3C1 (0.54) NR3C1PGRARESR2MMP2
SCHEMBL27579381 0.82 LTA4H (0.59) NR3C1PGRARESR2KIF11
SCHEMBL9778880 0.82 PGR (0.59) NR3C1PGRARESR2MMP2

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
US-5480568-A FOR LUBRICATING METAL CONTAINING SURFACES THE DOW CHEMICAL COMPANY (US) 1996-01-02 US claimed
US-5480568-A FOR LUBRICATING METAL CONTAINING SURFACES THE DOW CHEMICAL COMPANY (US) 1996-01-02 US disclosed