SCHEMBL8854546

SCHEMBL8854546

C[PH](=O)OOS(=O)(=O)c1ccccc1OC(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 4/20 0.39
ALPL P05186 1/20 0.39
SLC40A1 Q9NP59 1/20 0.38
HTR6 P50406 1/20 0.38
KDM2B Q8NHM5 1/20 0.37
F2 P00734 1/20 0.36
CTRC Q99895 1/20 0.36
BRD4 O60885 1/20 0.36
MRGPRX1 Q96LB2 1/20 0.36
PTGES2 Q9H7Z7 1/20 0.36
CNR2 P34972 2/20 0.34
PTGDR2 Q9Y5Y4 2/20 0.34
NAMPT P43490 1/20 0.34
MEN1 O00255 1/20 0.33
ESR1 P03372 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
ESR2 Q92731 1/20 0.33
RORC P51449 1/20 0.33

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
SCHEMBL8854741 0.86 SLC22A12 (0.38) SLC22A12ALPLSLC40A1HTR6KDM2B
SCHEMBL8854595 0.79 KCNN4 (0.33)
SCHEMBL8854719 0.79 KMT2A (0.44) SLC22A12MEN1KMT2A
SCHEMBL8854434 0.77 SLC6A3 (0.31) KDM2BRORC
SCHEMBL8854534 0.77 SLC22A12 (0.42) SLC22A12ALPLSLC40A1HTR6KDM2B
SCHEMBL8854557 0.77 HSD11B1 (0.33) SLC22A12MEN1KMT2A
SCHEMBL6039108 0.74 SLC22A12 (0.48) SLC22A12ALPLSLC40A1HTR6KDM2B
SCHEMBL2646108 0.74 ALPL (0.46) SLC22A12ALPLSLC40A1HTR6KDM2B
SCHEMBL8409554 0.74 SLC22A12 (0.41) SLC22A12ALPLSLC40A1HTR6KDM2B
SCHEMBL8854490 0.73 HSD11B1 (0.39) HTR6F2CTRCGAA

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
US-5693590-A PLANT GROWTH REGULATOR ROHM AND HAAS COMPANY (US) 1997-12-02 US claimed