SCHEMBL8854433

SCHEMBL8854433

COc1cccc(C(F)(F)F)c1S(=O)(=O)O[PH](=O)OC

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 4/20 0.38
MAOB P27338 1/20 0.35
AR P10275 2/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
SLC22A12 Q96S37 2/20 0.33
ATM Q13315 1/20 0.33
P2RX7 Q99572 1/20 0.33
CCR4 P51679 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL8854431 0.87 KCNK3 (0.39) NFE2L2ARKMT2ASLC22A12ATM
SCHEMBL8854420 0.86 NFE2L2 (0.36) NFE2L2MAOBARGAAKMT2A
SCHEMBL8854526 0.84 KMT2A (0.35) NFE2L2GAAKMT2AP2RX7CCR4
SCHEMBL8854454 0.84 SLC22A12 (0.35) NFE2L2GAAKMT2ASLC22A12CCR4
SCHEMBL8854605 0.82 GABRA1 (0.35) MAOBARGAAKMT2AATM
SCHEMBL8854736 0.82 NFE2L2 (0.42) NFE2L2MAOBARGAAKMT2A
SCHEMBL8854405 0.80 NFE2L2 (0.36) NFE2L2MAOBARGAAKMT2A
SCHEMBL8854731 0.80 NFE2L2 (0.40) NFE2L2MAOBARGAAKMT2A
SCHEMBL6630905 0.79 NFE2L2 (0.42) NFE2L2MAOBARGAAKMT2A
SCHEMBL8735584 0.77 ATM (0.36) NFE2L2MAOBKMT2AATMLMNA

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