SCHEMBL1300675

SCHEMBL1300675

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPT2 P23786 1/20 0.38
ACLY P53396 1/20 0.38
HSPD1 P10809 1/20 0.36
BLM P54132 1/20 0.36
HSPE1 P61604 1/20 0.36
SLC22A6 Q4U2R8 1/20 0.33
CACNA2D1 P54289 2/20 0.32
CACNB3 P54284 1/20 0.32
CACNA1C Q13936 1/20 0.32
PGR P06401 1/20 0.32
ADRA1A P35348 1/20 0.32
HTR2B P41595 1/20 0.32
CACNA2D2 Q9NY47 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
THRB P10828 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
FFAR3 O14843 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
SCHEMBL1300767 0.88 HSPD1 (0.38) CPT2ACLYHSPD1BLMHSPE1
SCHEMBL20702119 0.82 CPT2 (0.35) CPT2ACLYHSPD1BLMHSPE1
SCHEMBL18725609 0.78 HSPD1 (0.40) CPT2ACLYHSPD1BLMHSPE1
SCHEMBL5024754 0.77 CPT2 (0.36) CPT2ACLYHSPD1BLMHSPE1
SCHEMBL17008763 0.77 CPT2 (0.38) CPT2ACLYHSPD1BLMHSPE1
SCHEMBL19331402 0.77 CPT2 (0.38) CPT2ACLYHSPD1BLMHSPE1
SCHEMBL1164584 0.77 CPT2 (0.38) CPT2ACLYHSPD1BLMHSPE1
SCHEMBL260454 0.75 CPT2 (0.41) CPT2ACLYHSPD1BLMHSPE1
SCHEMBL6911619 0.75 CPT2 (0.37) CPT2ACLYHSPD1BLMHSPE1
SCHEMBL10535147 0.75 CPT2 (0.41) CPT2ACLYHSPD1BLMHSPE1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9023636-B2 Microorganisms and methods for the biosynthesis of propylene GENOMATICA, INC. (US) 2015-05-05 US disclosed
US-8617862-B2 Microorganisms for producing propylene and methods related thereto GENOMATICA, INC. (US) 2013-12-31 US disclosed
EP-2563926-A1 MICROORGANISMS AND METHODS FOR THE BIOSYNTHESIS OF PROPYLENE Genomatica, Inc. (US) 2013-03-06 EP disclosed
US-20120329119-A1 MICROORGANISMS FOR PRODUCING PROPYLENE AND METHODS RELATED THERETO GENOMATICA, INC. 2012-12-27 US disclosed
WO-2011137198-A1 MICROORGANISMS AND METHODS FOR THE BIOSYNTHESIS OF PROPYLENE GENOMATICA, INC. (US) 2011-11-03 WO disclosed
US-20110269204-A1 MICROORGANISMS AND METHODS FOR THE BIOSYNTHESIS OF PROPYLENE AGAIN BIO APS (DK) 2011-11-03 US disclosed