SCHEMBL8905178

SCHEMBL8905178

O=S(=O)(O)c1ccccc1CCC(F)(F)F.[NaH]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.38
HSD11B1 P28845 1/20 0.36
EPHX2 P34913 1/20 0.34
MMP1 P03956 2/20 0.33
MMP2 P08253 2/20 0.33
MMP3 P08254 2/20 0.33
MMP9 P14780 2/20 0.33
MMP12 P39900 2/20 0.33
MMP13 P45452 2/20 0.33
MMP14 P50281 2/20 0.33
CYP2D6 P10635 1/20 0.33
TTR P02766 2/20 0.33
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYSLTR2 Q9NS75 1/20 0.32
CYSLTR1 Q9Y271 1/20 0.32
MGLL Q99685 1/20 0.32
RORC P51449 1/20 0.31
RAB9A P51151 1/20 0.31
MMP8 P22894 1/20 0.30

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
SCHEMBL776735 0.98 MYC (0.39) MYCHSD11B1EPHX2MMP1MMP2
SCHEMBL6536333 0.82 HSD11B1 (0.37) MYCHSD11B1MMP1MMP2MMP3
SCHEMBL30446463 0.81 MYC (0.47) MYCMMP1MMP2MMP3MMP9
SCHEMBL4202392 0.81 MYC (0.47) MYCMMP1MMP2MMP3MMP9
SCHEMBL8610746 0.81 CA2 (0.44)
SCHEMBL5574191 0.81 HSD11B1 (0.34) HSD11B1EPHX2CYSLTR2CYSLTR1MEN1
SCHEMBL29469857 0.81 CA2 (0.44)
SCHEMBL778277 0.80 MYC (0.41) MYCHSD11B1EPHX2MMP1MMP2
SCHEMBL8905176 0.79 HSD11B1 (0.36) HSD11B1EPHX2MMP1MMP2MMP3
Hydrochloric Acid SCHEMBL28128783 0.79 MYC (0.40) MYCHSD11B1EPHX2MMP1MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5637763-A Process for the preparation of substituted benzenes and benzene sulfonic acid and derivatives thereof and a process for the preparation of N,N'-substituted ureas CIBA-GEIGY CORPORATION (US) 1997-06-10 US disclosed
EP-0584043-B1 Process for the preparation of substituted benzenes and benzene sulfonic acid and derivatives thereof and a process for the preparation of N'N-substituted ureas CIBA GEIGY AG (CH) 1996-10-30 EP disclosed
US-5508402-A Process for the preparation of N,N'-substituted ureas CIBA-GEIGY CORPORATION (US) 1996-04-16 US disclosed
EP-0584043-A1 Process for the preparation of substituted benzenes and benzene sulfonic acid and derivatives thereof and a process for the preparation of N'N-substituted ureas CIBA-GEIGY AG (CH) 1994-02-23 EP disclosed