SCHEMBL4304201

SCHEMBL4304201

CCN1CCN(CCO)CC1.CCS(=O)(=O)O

nearest known ligand 0.42

Known targets — ChEMBL curated mechanism

FGFR1FGFR2FGFR3FGFR4FLT1FLT4KDRPDGFRAPDGFRB

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
PKM P14618 1/20 0.36
MEN1 O00255 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD11B1 P28845 2/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34

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
Sulfuric Acid SCHEMBL9359044 0.94 ALDH1A1 (0.44) ALDH1A1KDM4ECHRM2CHRM1KMT2A
SCHEMBL323447 0.87 ALDH1A1 (0.52) ALDH1A1KDM4EKMT2ALMNAHTT
SCHEMBL22996224 0.87 ALDH1A1 (0.52) ALDH1A1KDM4EKMT2ALMNAHTT
SCHEMBL22996249 0.87 ALDH1A1 (0.52) ALDH1A1KDM4EKMT2ALMNAHTT
SCHEMBL22996243 0.87 ALDH1A1 (0.52) ALDH1A1KDM4EKMT2ALMNAHTT
SCHEMBL626439 0.86 ALDH1A1 (0.41) ALDH1A1KDM4ECHRM2CHRM1KMT2A
SCHEMBL16227396 0.84 ALDH1A1 (0.41) ALDH1A1KDM4ECHRM2CHRM1KMT2A
SCHEMBL2882040 0.83 MEN1 (0.43) ALDH1A1KDM4ECHRM2CHRM1KMT2A
Alcohol SCHEMBL7566185 0.82 ALDH1A1 (0.41) ALDH1A1KDM4ECHRM2CHRM1KMT2A
SCHEMBL28919252 0.81 HSD11B1 (0.41) ALDH1A1KDM4ECHRM2CHRM1HTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7635236-B2 In situ remediation of inorganic contaminants using stabilized zero-valent iron nanoparticles AUBURN UNIVERSITY (US) 2009-12-22 US disclosed
US-20070256985-A1 In Situ Remediation of Inorganic Contaminants Using Stabilized Zero-Valent Iron Nanoparticles AUBURN UNIVERSITY 2007-11-08 US disclosed