SCHEMBL18126151

SCHEMBL18126151

CCOC(=O)C(C)(C)CC(Br)C(=O)ON1C(=O)CCC1=O

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
MAPT P10636 1/20 0.33
MMP8 P22894 1/20 0.33
MEN1 O00255 2/20 0.30
ALDH1A1 P00352 2/20 0.30
KMT2A Q03164 2/20 0.30
LMNA P02545 2/20 0.30
RAB9A P51151 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 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
SCHEMBL18827266 0.73 MGLL (0.33) MMP8KMT2A
SCHEMBL13156789 0.73 LMNA (0.43) CYP4F2CYP4A11MMP8ALDH1A1LMNA
SCHEMBL14131923 0.72 HPGD (0.32)
SCHEMBL4524967 0.72 ALDH1A1 (0.37) ALDH1A1
SCHEMBL4867939 0.72 ZDHHC7 (0.47) ALDH1A1KMT2ALMNA
SCHEMBL22502361 0.71 MAPT (0.33) MAPTLMNA
SCHEMBL18910880 0.71
SCHEMBL12107375 0.71 RIPK1 (0.36) MAPT
SCHEMBL1799869 0.70 ALDH1A1 (0.46) MAPTMEN1ALDH1A1KMT2ALMNA
SCHEMBL1906467 0.70 MGLL (0.34) KMT2A

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-20160288053-A1 DRAW SOLUTES INCLUDING PHOSPHONATE IONIC OLIGOMERS, FORWARD OSMOTIC WATER TREATING APPARATUS, AND METHODS USING THE SAME LOTTE CHEMICAL CORPORATION (KR) 2016-10-06 US disclosed
US-20160288053-A1 DRAW SOLUTES INCLUDING PHOSPHONATE IONIC OLIGOMERS, FORWARD OSMOTIC WATER TREATING APPARATUS, AND METHODS USING THE SAME LOTTE CHEMICAL CORPORATION (KR) 2016-10-06 US disclosed