SCHEMBL12640375

SCHEMBL12640375

C=CCCC(CCCOC)C(C)=O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLA2G2C Q5R387 1/20 0.38
ALDH1A1 P00352 3/20 0.37
LMNA P02545 2/20 0.37
USP2 O75604 3/20 0.36
CYP3A4 P08684 2/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HPGD P15428 1/20 0.36
PDF Q9HBH1 1/20 0.35
RECQL P46063 1/20 0.33
LPAR2 Q9HBW0 1/20 0.33
LPAR3 Q9UBY5 1/20 0.33
KISS1R Q969F8 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
TSHR P16473 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
SCHEMBL13995173 0.87 ALDH1A1 (0.42) PLA2G2CALDH1A1LMNAUSP2CYP3A4
SCHEMBL12640380 0.86 ALDH1A1 (0.37) PLA2G2CALDH1A1LMNAKISS1RCA1
SCHEMBL13995175 0.81 USP2 (0.34) PLA2G2CALDH1A1LMNAUSP2CYP3A4
SCHEMBL13995176 0.80 ALDH1A1 (0.37) PLA2G2CALDH1A1LMNAUSP2CYP3A4
SCHEMBL13995181 0.80 TDP1 (0.36) PLA2G2CALDH1A1LMNAUSP2CYP3A4
SCHEMBL12228505 0.78 PLA2G2C (0.47) PLA2G2CALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL12360353 0.75 MAPT (0.46) PLA2G2CALDH1A1LMNAUSP2CYP3A4
SCHEMBL14471116 0.75 HDAC7 (0.45) PLA2G2CALDH1A1USP2CYP3A4MAPT
SCHEMBL13995178 0.75 MAPT (0.43) PLA2G2CALDH1A1LMNAUSP2CYP3A4
SCHEMBL13995179 0.75 MAPT (0.43) PLA2G2CALDH1A1LMNAUSP2CYP3A4

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-7935782-B2 Multifunctional degradable nanoparticles with control over size and functionalities VANDERBILT UNIVERSITY (US) 2011-05-03 US disclosed
US-20090306335-A1 MULTIFUNCTIONAL DEGRADABLE NANOPARTICLES WITH CONTROL OVER SIZE AND FUNCTIONALITIES NATIONAL SCIENCE FOUNDATION 2009-12-10 US disclosed