SCHEMBL8854485

SCHEMBL8854485

CO[PH](=O)OS(=O)(=O)c1ccccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
PGR P06401 2/20 0.38
NFE2L2 Q16236 2/20 0.38
KCNH2 Q12809 1/20 0.38
F2 P00734 3/20 0.37
HTR6 P50406 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CTRC Q99895 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL8854535 0.85 KDM4E (0.38) HSD11B1KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL8854426 0.80 ATM (0.34) NFE2L2MEN1KMT2AALDH1A1CCR4
SCHEMBL8854652 0.79 ALDH1A1 (0.42) KDM4EGAATSHRALDH1A1L3MBTL1
SCHEMBL198294 0.79 HSD11B1 (0.46) HSD11B1KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL8854537 0.77 KMT2A (0.44) HSD11B1NFE2L2MEN1KMT2AGAA
SCHEMBL9929935 0.76 TDP1 (0.43) KDM4EHTR6SMN1; SMN2KMT2ATSHR
SCHEMBL8854573 0.75 SLC40A1 (0.37) MEN1KMT2ATSHRALDH1A1CCR4
SCHEMBL8854551 0.74 HSD11B1 (0.33) HSD11B1NFE2L2MEN1KMT2AGAA
SCHEMBL8854534 0.74 SLC22A12 (0.42) F2HTR6CTRCALDH1A1L3MBTL1
SCHEMBL8634554 0.74 HSD11B1 (0.46) HSD11B1KDM4ECYP1A2CYP3A4CYP2D6

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