Undecane

Undecane

SCHEMBL9436372

C#CC=CCCCCCC.CCCCCCCCCCC

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.48
TRPV1 Q8NER1 1/20 0.48
TSHR P16473 2/20 0.42
HMGCR P04035 2/20 0.42
TERT O14746 3/20 0.42
MAPT P10636 2/20 0.42
BLM P54132 2/20 0.42
HSD17B10 Q99714 2/20 0.42
FABP4 P15090 2/20 0.42
PTPN1 P18031 2/20 0.42
PPARG P37231 2/20 0.42
PPARD Q03181 2/20 0.42
PPARA Q07869 2/20 0.42
GMNN O75496 1/20 0.42
USP2 O75604 1/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX15 P16050 1/20 0.42

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
SCHEMBL17965705 1.00 FAAH (0.48) FAAHTRPV1TSHRHMGCRTERT
SCHEMBL9436371 1.00 FAAH (0.48) FAAHTRPV1TSHRHMGCRTERT
SCHEMBL10689663 1.00 FAAH (0.48) FAAHTRPV1TSHRHMGCRTERT
SCHEMBL5143828 1.00 FAAH (0.48) FAAHTRPV1TSHRHMGCRTERT
SCHEMBL9049010 1.00 FAAH (0.48) FAAHTRPV1TSHRHMGCRTERT
SCHEMBL30468236 1.00 FAAH (0.48) FAAHTRPV1TSHRHMGCRTERT
SCHEMBL5143829 1.00 FAAH (0.48) FAAHTRPV1TSHRHMGCRTERT
SCHEMBL17965707 1.00 FAAH (0.48) FAAHTRPV1TSHRHMGCRTERT
SCHEMBL4053109 0.98
SCHEMBL8743237 0.98

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5321014-A Molecular encapsulation and delivery of alkenes alkynes and long chain alkanes, to living mammalian cells THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1994-06-14 US disclosed