SCHEMBL4736289

SCHEMBL4736289

O=C(O)CCCOCCOCCO[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.44
LMNA P02545 4/20 0.39
BLM P54132 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
HBB P68871 1/20 0.39
HIF1A Q16665 1/20 0.39
SLC22A6 Q4U2R8 1/20 0.37
NFKB1 P19838 1/20 0.36
PMP22 Q01453 1/20 0.36
ALDH1A1 P00352 1/20 0.35
ESR2 Q92731 1/20 0.35
CAMK2A Q9UQM7 1/20 0.33
GABRR3 A8MPY1 1/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
HDAC3 O15379 1/20 0.32
GABBR2 O75899 1/20 0.32
CYP1A2 P05177 1/20 0.32
THRB P10828 1/20 0.32

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
SCHEMBL2232094 0.88 BLM (0.41) TSHRLMNABLMKMT2AMEN1
SCHEMBL397067 0.88 BLM (0.41) TSHRLMNABLMKMT2AMEN1
SCHEMBL457635 0.88 LMNA (0.44) TSHRLMNABLMKMT2AMEN1
Methane SCHEMBL2013629 0.86 LMNA (0.43) TSHRLMNABLMKMT2AMEN1
Ethane SCHEMBL2012141 0.84 ESR2 (0.42) TSHRLMNABLMKMT2AMEN1
SCHEMBL399991 0.82 ALDH1A1 (0.48) TSHRLMNABLMKMT2AMEN1
SCHEMBL15721716 0.81 TSHR (0.60) TSHRLMNABLMKMT2ASLC22A6
SCHEMBL29211769 0.81 TSHR (0.60) TSHRLMNABLMKMT2ASLC22A6
SCHEMBL4735665 0.80 BLM (0.33) TSHRLMNABLMKMT2AMEN1
SCHEMBL2011462 0.80 ALDH1A1 (0.52) TSHRLMNABLMKMT2AMEN1

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
WO-2008075152-A1 1- [4- (SULFONYL) -PHENYL] -5- (BENZYL) -IH-I, 2, 4-TRIAZOL DERIVATIVES AS INHIBITORS OF CARBONIC ANHYDRASE FOR TREATING GLAUCOMA OR OCULAR HYPERTENSION PFIZER PRODUCTS INC. (US) 2008-06-26 WO disclosed