SCHEMBL2738372

SCHEMBL2738372

CCC(=O)OC(C)CC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
CYP2C19 P33261 1/20 0.39
RECQL P46063 1/20 0.39
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP9 P14780 1/20 0.36
MMP13 P45452 1/20 0.36
ALOX15 P16050 1/20 0.35
CYP1A2 P05177 3/20 0.35
SLC22A6 Q4U2R8 1/20 0.35
MAPK1 P28482 4/20 0.34
LMNA P02545 4/20 0.34
GMNN O75496 3/20 0.34
MAPT P10636 3/20 0.34
NPSR1 Q6W5P4 3/20 0.34
HSP90AA1 P07900 2/20 0.34
BLM P54132 2/20 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
SCHEMBL29124665 0.84 CYP1A2 (0.40) MEN1KMT2AMMP1MMP2MMP3
SCHEMBL20581480 0.83 ALDH1A1 (0.44) FFAR3MEN1KMT2AMMP1MMP2
SCHEMBL4362567 0.83 ALDH1A1 (0.44) FFAR3MEN1KMT2AMMP1MMP2
SCHEMBL13576868 0.82 MMP1 (0.55) MMP1MMP2MMP3MMP9MMP13
SCHEMBL4361342 0.82 MMP1 (0.36) MEN1KMT2AMMP1MMP2MMP3
SCHEMBL13335489 0.81 ELANE (0.37) MEN1KMT2AMMP1MMP2MMP3
SCHEMBL15489098 0.80 TSHR (0.39) MEN1KMT2ACYP2C19RECQLMMP1
SCHEMBL1125336 0.80 MMP1 (0.39) MMP1MMP2MMP3MMP9MMP13
SCHEMBL2510667 0.80 MMP1 (0.39) MMP1MMP2MMP3MMP9MMP13
SCHEMBL9300191 0.80 TSHR (0.43) CYP2C19MMP1MMP2MMP3MMP9

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-8088365-B2 Soluble, degradable poly(ethylene glycol) derivatives for controllable release of bound molecules into solution NEKTAR THERAPEUTICS (US) 2012-01-03 US disclosed
US-7655747-B2 Soluble, degradable poly(ethylene glycol) derivatives for controllable release of bound molecules into solution NEKTAR THERAPEUTICS (US) 2010-02-02 US disclosed
WO-2008033352-A2 MONOCARBOXYLATES FOR MODIFYING MACROPHAGE FUNCTION THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2008-03-20 WO disclosed