SCHEMBL1300672

SCHEMBL1300672

CCOC(=O)C(O)C(C)CC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
SLC22A6 Q4U2R8 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALOX15 P16050 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
SOAT1 P35610 1/20 0.34
CYP2D6 P10635 1/20 0.34
GPR84 Q9NQS5 1/20 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
SCHEMBL9785811 0.81 ALDH1A1 (0.39) ALDH1A1SLC22A6MEN1NPC1KMT2A
SCHEMBL1300984 0.81 SLC22A6 (0.39) SLC22A6KMT2ALMNASMN1; SMN2
SCHEMBL9782172 0.81 ALDH1A1 (0.39) ALDH1A1SLC22A6MEN1NPC1KMT2A
SCHEMBL8065451 0.80 CHRM4 (0.44) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL6680468 0.80 CHRM4 (0.44) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL6677373 0.80 CHRM4 (0.44) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL29369642 0.80 CHRM4 (0.44) ALDH1A1LMNAHSD17B10ALOX15MGAM
Acetic Acid SCHEMBL28254246 0.80 ALDH1A1 (0.50) ALDH1A1MEN1NPC1KMT2ALMNA
SCHEMBL6668703 0.79 TDP1 (0.41) ALDH1A1SLC22A6MEN1NPC1KMT2A
SCHEMBL5057760 0.79 SLC22A6 (0.37) SLC22A6LMNASMN1; SMN2GPR84

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