SCHEMBL10636631

SCHEMBL10636631

CCCC(CC)(CCS(=O)(=O)O)S(=O)(=O)O

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.31
PDE4A P27815 1/20 0.31
LMNA P02545 1/20 0.31
SLC6A6 P31641 1/20 0.31
CYP2C19 P33261 1/20 0.31
BLM P54132 1/20 0.31

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
Ammonia Solution, Strong SCHEMBL28064095 0.87 FDPS (0.31)
SCHEMBL28163299 0.84 FDPS (0.32)
SCHEMBL29002118 0.76 FDPS (0.35)
SCHEMBL19066387 0.74 CA5A (0.31)
Ammonia Solution, Strong SCHEMBL28064105 0.71
SCHEMBL11230423 0.71
SCHEMBL10632837 0.71 APP (0.42) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL21495971 0.71 FDPS (0.38)
SCHEMBL29002122 0.71 FDPS (0.35)
SCHEMBL28485995 0.70

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-4785098-A BLUE DYES FOR CELLULOSE HOECHST AKTIENGESELLSCHAFT (DE) 1988-11-15 US disclosed