SCHEMBL7601300

SCHEMBL7601300

CCCCCCCCCCCCCCC(=O)C(C)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.46
CES2 O00748 2/20 0.45
FAAH O00519 6/20 0.42
CYP2C9 P11712 2/20 0.42
TSHR P16473 2/20 0.42
CYP2C19 P33261 2/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 1/20 0.41
CES1 P23141 4/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 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
SCHEMBL7641669 0.80 ASAH1 (0.56) CES2CES1
SCHEMBL7596532 0.78 CNR1 (0.48) FAAH
SCHEMBL18210599 0.76 CES2 (0.45) CYP3A4CES2CES1
SCHEMBL18210585 0.76 FAAH (0.58) CYP3A4CES2FAAHCES1
SCHEMBL12420336 0.75 HDAC1 (0.68)
Hydrochloric Acid SCHEMBL18210543 0.75 CES2 (0.44) CYP3A4CES2CYP2C9TSHRCYP2C19
SCHEMBL12466695 0.74 HSD17B3 (0.53) CYP3A4CYP2C9TSHRCYP2C19CYP1A2
SCHEMBL27621486 0.73 CES2 (0.52) CYP3A4CES2CES1
SCHEMBL14614552 0.73 HSD11B1 (0.44) CYP3A4CES2CYP2C9TSHRCYP2C19
SCHEMBL28439330 0.73 HSD11B1 (0.44) CYP3A4CES2CYP2C9TSHRCYP2C19

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-1161481-B1 OPTICALLY ACTIVE LINEAR POLYMER USED AS LIGAND IN THE PREPARATION OF METALLIC COMPLEXES DESIGNED FOR ASYMMETRIC CATALYSIS RHODIA CHIMIE SA (FR) 2002-12-04 EP disclosed
EP-1161481-A1 OPTICALLY ACTIVE LINEAR POLYMER USED AS LIGAND IN THE PREPARATION OF METALLIC COMPLEXES DESIGNED FOR ASYMMETRIC CATALYSIS RHODIA CHIMIE (FR) 2001-12-12 EP disclosed
WO-2000052081-A1 OPTICALLY ACTIVE LINEAR POLYMER USED AS LIGAND IN THE PREPARATION OF METALLIC COMPLEXES DESIGNED FOR ASYMMETRIC CATALYSIS RHODIA CHIMIE (FR) 2000-09-08 WO disclosed