SCHEMBL929232

SCHEMBL929232

CCC(CC(=O)O)(C(=O)O)S(=O)(=O)O.CCC(CC(=O)O)(C(=O)O)S(=O)(=O)O.[Na]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
HIF1A Q16665 1/20 0.38
ALDH1A1 P00352 3/20 0.34
HMGCR P04035 1/20 0.34
CHRM1 P11229 1/20 0.34
TBXA2R P21731 1/20 0.34
ADRA1A P35348 1/20 0.34
KDM4E B2RXH2 1/20 0.34
FFAR1 O14842 1/20 0.34
CPT2 P23786 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
POLB P06746 1/20 0.32
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
THRB P10828 1/20 0.31
KMT2A Q03164 1/20 0.31
FFAR3 O14843 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
SCHEMBL8747821 0.98 CYP2D6 (0.39) CYP2D6TSHRCYP2C19HIF1AALDH1A1
Ammonia Solution, Strong SCHEMBL27898781 0.96 CYP2D6 (0.38) CYP2D6TSHRCYP2C19HIF1AALDH1A1
SCHEMBL27898754 0.96 CYP2D6 (0.38) CYP2D6TSHRCYP2C19HIF1AALDH1A1
Ammonia Solution, Strong SCHEMBL27739349 0.94 CYP2D6 (0.37) CYP2D6TSHRCYP2C19HIF1AALDH1A1
SCHEMBL6561842 0.84 ALDH1A1 (0.42) CYP2D6TSHRCYP2C19HIF1AALDH1A1
SCHEMBL1498078 0.79 HSPD1 (0.36) CYP2D6TSHRCYP2C19HIF1AALDH1A1
SCHEMBL4664164 0.77 CYP4F2 (0.39) CYP2D6ALDH1A1HMGCRCHRM1TBXA2R
SCHEMBL3396398 0.77 TDP1 (0.38) TSHRALDH1A1FFAR1CPT2TDP1
SCHEMBL17666414 0.77 HSPD1 (0.35) CYP2D6TSHRCYP2C19HIF1AALDH1A1
SCHEMBL28170488 0.77 ALDH1A1 (0.34) ALDH1A1KDM4EL3MBTL1MEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110017019-A1 PROCESS FOR THE PREPARATION OF SILVER NANO PARTICLES TATA CHEMICALS LIMITED (IN) 2011-01-27 US claimed
EP-2268435-A1 A PROCESS FOR THE PREPARATION OF SILVER NANO PARTICLES Tata Chemicals Limited (IN) 2011-01-05 EP claimed
WO-2009133446-A1 A PROCESS FOR THE PREPARATION OF SILVER NANO PARTICLES TATA CHEMICALS LIMITED (IN) 2009-11-05 WO claimed