SCHEMBL12673152

SCHEMBL12673152

CCC(=O)OCCOC(=O)CC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.48
ALDH1A1 P00352 4/20 0.39
BLM P54132 2/20 0.39
CYP1A2 P05177 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
WRN Q14191 1/20 0.39
HIF1A Q16665 1/20 0.39
DGKA P23743 1/20 0.39
GAA P10253 2/20 0.38
HTT P42858 1/20 0.36
KDM4E B2RXH2 1/20 0.35
LMNA P02545 2/20 0.33
RAB9A P51151 1/20 0.33
DNM1 Q05193 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA1A P35348 1/20 0.32
TSHR P16473 1/20 0.32
MGAM O43451 1/20 0.32
SI P14410 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
SCHEMBL15694063 0.91 DGKA (0.39) NAAAALDH1A1BLMCYP2C19DGKA
SCHEMBL5011564 0.84 RAB9A (0.44) NAAAALDH1A1DGKAKDM4ELMNA
SCHEMBL22115780 0.83 ALDH1A1 (0.54) NAAAALDH1A1DGKAGAALMNA
SCHEMBL50301 0.83 NAAA (0.64) NAAAALDH1A1BLMCYP1A2HPGD
SCHEMBL28462591 0.82 CYP2C19 (0.34) NAAAALDH1A1BLMCYP2C19DGKA
SCHEMBL18269852 0.82 TSHR (0.39) NAAAALDH1A1BLMCYP2C19DGKA
SCHEMBL16272980 0.80 DGKA (0.33) ALDH1A1BLMDGKALMNARAB9A
SCHEMBL5021525 0.80 POLB (0.40) ALDH1A1BLMDGKAGAALMNA
SCHEMBL522692 0.80 ALDH1A1 (0.52) NAAAALDH1A1CYP1A2HPGDCYP2C19
SCHEMBL18927364 0.80 NAAA (0.47) NAAAALDH1A1BLMCYP1A2HPGD

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-7935131-B2 Shape memory polymers UNIVERSITY OF ROCHESTER (US) 2011-05-03 US disclosed
US-20080177303-A1 Shape memory polymers ROCHESTER, UNIVERSITY OF 2008-07-24 US disclosed