SCHEMBL8852663

SCHEMBL8852663

CC(C)(O)C(C)(C)O.CCCCC=CB(O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
FAAH O00519 3/20 0.34
TRPV1 Q8NER1 2/20 0.34
F7 P08709 1/20 0.34
F3 P13726 1/20 0.34
GMNN O75496 1/20 0.33
USP2 O75604 1/20 0.33
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
APEX1 P27695 1/20 0.33
CYP2C19 P33261 1/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ARG2 P78540 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32

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
SCHEMBL28578346 1.00 TSHR (0.36) TSHRFAAHTRPV1F7F3
SCHEMBL249672 0.89
SCHEMBL157037 0.89
SCHEMBL29955736 0.89
SCHEMBL28569948 0.87 ARG2 (0.34) ARG2ALDH1A1
Ethylene Glycol SCHEMBL8852638 0.83 ALDH1A1 (0.38) TSHRF7F3HSD17B10ARG2
SCHEMBL3295244 0.82 FAAH (0.44) FAAHTRPV1F7F3GMNN
SCHEMBL2619762 0.82 FAAH (0.44) FAAHTRPV1F7F3GMNN
SCHEMBL1334740 0.80 FAAH (0.48) FAAHTRPV1F7F3GMNN
SCHEMBL542661 0.80 FAAH (0.48) FAAHTRPV1F7F3GMNN

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-5665834-A Method of polymerizing alpha-olefins with boryl zirconocene organic 1,1-dimetallic compound catalysts THE UNIVERSITY OF TOLEDO (US) 1997-09-09 US disclosed
US-5468889-A FOR USE AS POLYMERIZATION CATALYSTS THE UNIVERSITY OF TOLEDO (US) 1995-11-21 US disclosed