SCHEMBL12640380

SCHEMBL12640380

C=CCC(CCCOC)C(C)=O

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
GRIK1 P39086 2/20 0.33
GRIK2 Q13002 2/20 0.33
LMNA P02545 1/20 0.33
PLA2G2C Q5R387 1/20 0.33
CPA1 P15085 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
SCHEMBL12678332 0.89 GRIK1 (0.35) ALDH1A1GRIK1GRIK2LMNAPLA2G2C
SCHEMBL12640375 0.86 PLA2G2C (0.38) ALDH1A1LMNAPLA2G2CKISS1RCA1
SCHEMBL9917640 0.81 TDP1 (0.31) KISS1RTSHR
SCHEMBL13995172 0.81 TDP1 (0.31) KISS1RTSHR
SCHEMBL13995159 0.81 GRIK1 (0.37) ALDH1A1GRIK1GRIK2LMNAPLA2G2C
SCHEMBL11876099 0.80 ALDH1A1 (0.31) ALDH1A1LMNA
SCHEMBL5067753 0.79 CA2 (0.46) ALDH1A1GRIK1GRIK2PLA2G2CCPA1
SCHEMBL10457723 0.78 CA2 (0.44) ALDH1A1GRIK1GRIK2PLA2G2CCA1
SCHEMBL12141497 0.78 TSHR (0.40) ALDH1A1LMNATSHR
SCHEMBL13995173 0.78 ALDH1A1 (0.42) ALDH1A1LMNAPLA2G2CTSHR

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 4 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
US-7470768-B2 Polyhydroxyalkanoate having vinyl group, ester group, carboxyl group, and sulfonic group, and method of producing the same CANON KABUSHIKI KAISHA (JP) 2008-12-30 US disclosed
US-20070073006-A1 Polyhydroxyalkanoate having vinyl group, ester group, carboxyl group, and sulfonic group, and method of producing the same CANON KABUSHIKI KAISHA (JP) 2007-03-29 US disclosed