SCHEMBL5866503

SCHEMBL5866503

Cc1cc(C)c(C2CCCCC2)c(C)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.41
CNR1 P21554 7/20 0.36
CNR2 P34972 7/20 0.36
ACHE P22303 1/20 0.36
KDM4E B2RXH2 3/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NR1I2 O75469 1/20 0.34
KDM4B O94953 1/20 0.34
CHRM1 P11229 1/20 0.34
TBXA2R P21731 1/20 0.34
ADRA1A P35348 1/20 0.34
DOHH Q9BU89 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33

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
SCHEMBL11699907 0.86 CNR2 (0.39) CNR1CNR2ACHEKDM4EMAPT
SCHEMBL11703166 0.84 CNR2 (0.38) CNR1CNR2ACHEKDM4EMAPT
SCHEMBL532225 0.81 ALDH1A1 (0.33) DPP4CNR1CNR2KDM4EMAPT
SCHEMBL532888 0.78 CYP3A4 (0.34) DPP4ALDH1A1TP53MAPK1TDP1
SCHEMBL3133781 0.78 CHRM1 (0.39) DPP4CNR1CNR2NR1I2KDM4B
SCHEMBL6387275 0.77 PSMB5 (0.36) CNR1CNR2MEN1KMT2ANR1I2
SCHEMBL28386966 0.77 KDM4E (0.39) CNR1CNR2ACHEKDM4EMAPT
SCHEMBL21808459 0.77 KDM4E (0.42) CNR1CNR2ACHEKDM4EMAPT
SCHEMBL31545650 0.76 CNR2 (0.42) CNR1CNR2CYP1A2CYP2D6CYP2C9
SCHEMBL15253182 0.75 CNR2 (0.33) CNR1CNR2KDM4EMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7119056-B2 Free-flowing, amphiphilic, non-ionic oligoesters SASOL GERMANY GMBH (DE) 2006-10-10 US disclosed
US-20050101667-A1 Free-flowing, amphiphilic, non-ionic oligoesters SASOL GERMANY GMBH (DE) 2005-05-12 US disclosed
EP-1313787-A1 FREE-FLOWING, AMPHIPHILIC, NON-IONIC OLIGOESTERS SASOL Germany GmbH (DE) 2003-05-28 EP disclosed
WO-2002018474-A1 FREE-FLOWING, AMPHIPHILIC, NON-IONIC OLIGOESTERS SASOL GERMANY GMBH (DE) 2002-03-07 WO disclosed