SCHEMBL588207

SCHEMBL588207

CCCCCCC=CCCCC(=O)OCC

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.68
ALOX15 P16050 2/20 0.68
HSD17B10 Q99714 2/20 0.68
CYP3A4 P08684 1/20 0.68
TSHR P16473 1/20 0.68
TDP1 Q9NUW8 1/20 0.68
NR1I2 O75469 1/20 0.67
PGR P06401 1/20 0.67
ADORA3 P0DMS8 1/20 0.67
PTGS2 P35354 1/20 0.67
PDE4D Q08499 1/20 0.67
FAAH O00519 4/20 0.65
MGLL Q99685 1/20 0.64
MAPT P10636 2/20 0.62
THRB P10828 1/20 0.62
CNR1 P21554 1/20 0.62
DGKA P23743 1/20 0.60
TOP1 P11387 2/20 0.59
PRKCE Q02156 1/20 0.57
PRKCQ Q04759 1/20 0.57

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
SCHEMBL31512667 1.00 ALDH1A1 (0.68) ALDH1A1ALOX15HSD17B10CYP3A4TSHR
SCHEMBL25514695 1.00 ALDH1A1 (0.68) ALDH1A1ALOX15HSD17B10CYP3A4TSHR
SCHEMBL31512538 1.00 ALDH1A1 (0.68) ALDH1A1ALOX15HSD17B10CYP3A4TSHR
SCHEMBL588206 1.00 ALDH1A1 (0.68) ALDH1A1ALOX15HSD17B10CYP3A4TSHR
SCHEMBL9128610 1.00 ALDH1A1 (0.68) ALDH1A1ALOX15HSD17B10CYP3A4TSHR
SCHEMBL31512512 1.00 ALDH1A1 (0.68) ALDH1A1ALOX15HSD17B10CYP3A4TSHR
SCHEMBL31512529 1.00 ALDH1A1 (0.68) ALDH1A1ALOX15HSD17B10CYP3A4TSHR
SCHEMBL26109632 0.98 NR1I2 (0.69) ALDH1A1ALOX15HSD17B10CYP3A4TSHR
SCHEMBL14899315 0.98 NR1I2 (0.69) ALDH1A1ALOX15HSD17B10CYP3A4TSHR
SCHEMBL25490302 0.96 HSD17B10 (0.73) ALDH1A1ALOX15HSD17B10CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2417246-A1 PRODUCTION OF FATTY ACID DERIVATIVES LS9, Inc. (US) 2012-02-15 EP disclosed
US-20110162259-A1 PRODUCTION OF FATTY ACID DERIVATIVES LS9, INC. (US) 2011-07-07 US disclosed
WO-2011038134-A1 PRODUCTION OF FATTY ACID DERIVATIVES LS9, INC. (US) 2011-03-31 WO disclosed
WO-2010118410-A1 PRODUCTION OF FATTY ACID DERIVATIVES LS9, INC. (US) 2010-10-14 WO disclosed
US-20100257778-A1 PRODUCTION OF FATTY ACID DERIVATIVES LS9, INC. (US) 2010-10-14 US disclosed