SCHEMBL933459

SCHEMBL933459

CCC(=O)Cc1cccc(OCO)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLA2G4B P0C869 2/20 0.48
LTB4R Q15722 1/20 0.47
LTB4R2 Q9NPC1 1/20 0.47
PPARG P37231 2/20 0.44
PPARA Q07869 2/20 0.44
TSHR P16473 2/20 0.43
MAPK1 P28482 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CTBP2 P56545 1/20 0.43
POLB P06746 1/20 0.43
MAOB P27338 1/20 0.42
ALOX5 P09917 1/20 0.41
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
VNN1 O95497 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL5322203 0.83 CTBP2 (0.60) SMN1; SMN2CTBP2POLBKMT2A
SCHEMBL31618812 0.83 CTBP2 (0.60) SMN1; SMN2CTBP2POLBKMT2A
SCHEMBL13067951 0.83 PLA2G4B (0.51) PLA2G4BLTB4RLTB4R2PPARGPPARA
SCHEMBL6002995 0.80 KDM4E (0.53) PPARGPPARATSHRMAPK1L3MBTL1
SCHEMBL31618736 0.80 FFAR1 (0.52) TSHRTDP1
SCHEMBL31618740 0.80 CYP3A4 (0.54) PLA2G4BCTBP2KMT2A
SCHEMBL13062192 0.80 MTNR1A (0.40) PLA2G4BCTBP2VNN1
SCHEMBL4568858 0.77 SLC2A1 (0.52)
SCHEMBL12164760 0.77 BCL2 (0.46) TSHRMAPK1L3MBTL1TDP1SMN1; SMN2
SCHEMBL8936444 0.75 CTBP2 (0.53) MAPK1CTBP2KMT2A

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
EP-2451928-A1 A PROCESS FOR PREPARING A PERFUME PARTICLE The Procter & Gamble Company (US) 2012-05-16 EP disclosed
WO-2011005816-A1 A PROCESS FOR PREPARING A PERFUME PARTICLE THE PROCTER & GAMBLE COMPANY (US) 2011-01-13 WO disclosed