SCHEMBL887234

SCHEMBL887234

CCCCCC(CC)OC(=O)/C=C/c1cccc(OC)c1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.48
CYP1A1 P04798 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
ALOX5 P09917 1/20 0.46
TRPM8 Q7Z2W7 1/20 0.46
KMT2A Q03164 3/20 0.45
MAOB P27338 2/20 0.45
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL31710835 0.90 NFE2L2 (0.52) NFE2L2L3MBTL1CYP1A1CYP1A2CYP2D6
SCHEMBL62156 0.90 NFE2L2 (0.52) NFE2L2L3MBTL1CYP1A1CYP1A2CYP2D6
SCHEMBL14562456 0.90 NFE2L2 (0.52) NFE2L2L3MBTL1CYP1A1CYP1A2CYP2D6
Glycine SCHEMBL4305397 0.84 NFE2L2 (0.46) NFE2L2L3MBTL1KMT2AMAOBMEN1
SCHEMBL28358728 0.84 NFE2L2 (0.38) NFE2L2L3MBTL1TRPM8KMT2AMEN1
SCHEMBL3008171 0.82 NFE2L2 (0.44) NFE2L2L3MBTL1CYP1A1CYP1A2CYP2D6
SCHEMBL14645363 0.82 SMN1; SMN2 (0.48) NFE2L2L3MBTL1CYP1A2KMT2APPARG
SCHEMBL19137920 0.80 NFKB1 (0.47) NFE2L2ALOX5KMT2AMEN1MAPT
SCHEMBL887236 0.80 MAPT (0.54) L3MBTL1CYP1A1CYP1A2CYP2D6KMT2A
SCHEMBL2226672 0.79 NFE2L2 (0.60) NFE2L2L3MBTL1CYP1A1CYP1A2CYP2D6

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-2405886-A1 TOPICAL PERSONAL CARE AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF Isp Investments Inc. (US) 2012-01-18 EP disclosed
WO-2010105052-A1 TOPICAL PERSONAL CARE AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF ISP INVESTMENTS INC. (US) 2010-09-16 WO disclosed