SCHEMBL7690236

SCHEMBL7690236

CCCCS(=O)(=O)Oc1ccccc1S(=O)(=O)C(=[N+]=[N-])S(=O)(=O)c1ccc(OC(C)(C)C)cc1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MRGPRX1 Q96LB2 1/20 0.32
MMP2 P08253 1/20 0.30
MMP7 P09237 1/20 0.30
MMP9 P14780 1/20 0.30
MMP14 P50281 1/20 0.30
HSD11B1 P28845 1/20 0.30
HSD17B3 P37058 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
SCHEMBL7695875 0.88 HTR6 (0.33) MRGPRX1
SCHEMBL7690238 0.88 MMP2 (0.39) MMP2MMP7MMP9MMP14
SCHEMBL7690708 0.88 HSD11B1 (0.43) HSD11B1HSD17B3
SCHEMBL7692523 0.88 LMNA (0.35)
SCHEMBL7693667 0.83 MRGPRX1 (0.34) MRGPRX1
SCHEMBL7696007 0.82 MRGPRX1 (0.35) MRGPRX1
SCHEMBL7696504 0.82 NPC1 (0.33) MRGPRX1
SCHEMBL7695879 0.81 MMP2 (0.41) MMP2MMP7MMP9MMP14
SCHEMBL7690031 0.80 MMP2 (0.44) MMP2MMP7MMP9MMP14
SCHEMBL7695981 0.78 MMP2 (0.39) MMP2MMP7MMP9MMP14

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-6338931-B1 PHOTOACID GENERATOR OF SULFONYLDIAZOMETHANE COMPOUND SHIN-ETSU CHEMICAL CO., LTD. (JP) 2002-01-15 US disclosed