SCHEMBL9955907

SCHEMBL9955907

COC1(OC)CC(C(=O)O)CC(OC)(OC)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.50
CYP2C19 P33261 2/20 0.48
CYP1A2 P05177 2/20 0.41
ALOX15 P16050 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GRM2 Q14416 2/20 0.32
GRM3 Q14832 2/20 0.32
GRM4 Q14833 2/20 0.32
TSHR P16473 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
GRM8 O00222 1/20 0.32
GRM6 O15303 1/20 0.32
LMNA P02545 1/20 0.32
GRM5 P41594 1/20 0.32
MTOR P42345 1/20 0.32
GRM1 Q13255 1/20 0.32
PLCB1 Q9NQ66 1/20 0.32
SLC6A4 P31645 1/20 0.31
MAPT P10636 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
SCHEMBL3632875 0.91 APLNR (0.54) APLNRCYP2C19CYP1A2ALOX15KDM4E
SCHEMBL28635475 0.78 GRM2 (0.47) APLNRCYP2C19CYP1A2ALOX15KDM4E
SCHEMBL19284443 0.74 APLNR (0.58) APLNRCYP2C19CYP1A2ALOX15KDM4E
SCHEMBL19284442 0.74 APLNR (0.58) APLNRCYP2C19CYP1A2ALOX15KDM4E
SCHEMBL15334702 0.73 LMNA (0.41) APLNRCYP2C19CYP1A2ALOX15KDM4E
SCHEMBL13818120 0.71 APLNR (0.32) APLNRALDH1A1
SCHEMBL449125 0.70 CHRNB2 (0.42) CYP1A2
SCHEMBL22609983 0.70 SMN1; SMN2 (0.34) APLNRKDM4EMAPT
SCHEMBL849927 0.69 APLNR (0.80) APLNRCYP2C19CYP1A2ALOX15KDM4E
SCHEMBL24868009 0.68 APLNR (0.45) APLNRCYP2C19CYP1A2ALOX15KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2741731-A1 ENCAPSULATES The Procter and Gamble Company (US) 2014-06-18 EP disclosed
WO-2013022949-A1 ENCAPSULATES THE PROCTER & GAMBLE COMPANY (US) 2013-02-14 WO disclosed
WO-2012085864-A1 ENCAPSULATES PROCTER & GAMBLE INTERNATIONAL OPERATIONS SA (CH) 2012-06-28 WO disclosed