SCHEMBL5506970

SCHEMBL5506970

CCCCCCCCCCCCCCCCC[C](C(C)O)C(C)O

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.46
CES1 P23141 3/20 0.46
MAPT P10636 1/20 0.45
LMNA P02545 2/20 0.45
MEN1 O00255 1/20 0.45
FAAH O00519 1/20 0.45
MAPK1 P28482 1/20 0.45
KMT2A Q03164 1/20 0.45
GPR84 Q9NQS5 2/20 0.44
PPARG P37231 2/20 0.44
PPARD Q03181 2/20 0.44
PPARA Q07869 2/20 0.44
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
SLC22A6 Q4U2R8 1/20 0.44
SLC22A8 Q8TCC7 1/20 0.44
TLR2 O60603 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
TDP1 Q9NUW8 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
SCHEMBL8089273 0.81 CES2 (0.48) CES2CES1LMNAMEN1FAAH
SCHEMBL29084742 0.81 CES2 (0.48) CES2CES1LMNAMEN1FAAH
SCHEMBL583014 0.81 CES2 (0.48) CES2CES1LMNAMEN1FAAH
SCHEMBL7169801 0.79 CES2 (0.46) CES2CES1MAPTLMNAMEN1
SCHEMBL10701934 0.79 CES2 (0.46) CES2CES1MAPTLMNAMEN1
SCHEMBL9012622 0.79 CES2 (0.46) CES2CES1MAPTLMNAMEN1
SCHEMBL7168781 0.79 CES2 (0.46) CES2CES1MAPTLMNAMEN1
SCHEMBL7167550 0.79 CES2 (0.46) CES2CES1MAPTLMNAMEN1
SCHEMBL3225539 0.77 CES2 (0.44) CES2CES1LMNAMEN1FAAH
Heptane SCHEMBL6217 0.76 TSHR (0.61) LMNAMEN1KMT2AGPR84ALDH1A1

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
US-7192757-B2 Subtilase variants NOVOZYMES A/S (DK) 2007-03-20 US disclosed
EP-1081187-B1 Rubber composition containing silica or silicate and salt of an amine BRIDGESTONE CORP (JP) 2004-02-18 EP disclosed