SCHEMBL2035970

SCHEMBL2035970

CCC/C=C/COC(=O)CCCC.CCCC=CCOC(=O)CCCC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.53
MGLL Q99685 1/20 0.49
ALDH1A1 P00352 2/20 0.47
MAPT P10636 1/20 0.47
THRB P10828 1/20 0.47
CNR1 P21554 1/20 0.47
DGKA P23743 2/20 0.47
NR1I2 O75469 1/20 0.46
PGR P06401 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
PTGS2 P35354 1/20 0.46
PDE4D Q08499 1/20 0.46
FAAH O00519 2/20 0.44
PRKCE Q02156 1/20 0.44
PRKCQ Q04759 1/20 0.44
PRKCD Q05655 1/20 0.44
PRKCA P17252 1/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL1532671 1.00 TSHR (0.53) TSHRMGLLALDH1A1MAPTTHRB
SCHEMBL1771111 1.00 TSHR (0.53) TSHRMGLLALDH1A1MAPTTHRB
SCHEMBL830241 0.94 TSHR (0.61) TSHRMGLLALDH1A1MAPTTHRB
SCHEMBL830242 0.94 TSHR (0.61) TSHRMGLLALDH1A1MAPTTHRB
Valeric Acid SCHEMBL1869428 0.93 PPARG (0.51) ALDH1A1MAPTPGRADORA3FAAH
SCHEMBL16927672 0.93 TSHR (0.64) TSHRMAPTDGKAPGRADORA3
SCHEMBL3504512 0.93 TSHR (0.64) TSHRMAPTDGKAPGRADORA3
SCHEMBL18338956 0.93 TSHR (0.64) TSHRMAPTDGKAPGRADORA3
SCHEMBL16927670 0.93 TSHR (0.64) TSHRMAPTDGKAPGRADORA3
SCHEMBL8744225 0.92 TSHR (0.60) TSHRMGLLALDH1A1MAPTTHRB

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
WO-2011075556-A1 COMPOSITION COMPRISING ENCAPSULATES, AND PROCESS FOR MAKING THEM THE PROCTER & GAMBLE COMPANY (US) 2011-06-23 WO disclosed
WO-2011075551-A1 PERFUMES AND PERFUME ENCAPSULATES THE PROCTER & GAMBLE COMPANY (US) 2011-06-23 WO disclosed