SCHEMBL8522636

SCHEMBL8522636

CCCCCB(O)OC=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.39
TSHR P16473 2/20 0.36
ADH1B P00325 2/20 0.33
ADH1C P00326 2/20 0.33
ADH1A P07327 2/20 0.33
ADH4 P08319 2/20 0.33
ADH7 P40394 2/20 0.33
EPHX1 P07099 1/20 0.33
TRPA1 O75762 2/20 0.32
FAAH O00519 3/20 0.32
TRPV1 Q8NER1 1/20 0.32
CES2 O00748 4/20 0.32
CES1 P23141 4/20 0.32
DDAH1 O94760 1/20 0.31
GAPDH P04406 1/20 0.31
MAPT P10636 1/20 0.31
ATM Q13315 1/20 0.31
HSP90AA1 P07900 1/20 0.31
AKR1B1 P15121 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL254277 0.77 ANPEP (0.39) ANPEPTSHRFAAHSMN1; SMN2
SCHEMBL1726025 0.75 ANPEP (0.46) ANPEPTSHRCES2CES1MAPT
SCHEMBL17287861 0.73
SCHEMBL16521392 0.71 ANPEP (0.42) ANPEPTSHRTRPV1CES2CES1
SCHEMBL10584179 0.71
SCHEMBL9561943 0.71
SCHEMBL17607342 0.71 AKR1B1 (0.39) ANPEPTSHRCES2CES1MAPT
SCHEMBL21154909 0.70 ANPEP (0.40) ANPEPTSHRTRPV1CES2CES1
SCHEMBL6707164 0.68 ALDH1A1 (0.39) ANPEPCES2CES1
SCHEMBL17287801 0.68 TSHR (0.42) ANPEPTSHRFAAH

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
US-20150093291-A1 COMPETITIVE BINDING DENDRIMER-BASED SYSTEM FOR ANALYTE DETECTION RECEPTORS LLC (US) 2015-04-02 US disclosed
WO-2013025616-A1 COMPETITIVE BINDING DENDRIMER-BASED SYSTEM FOR ANALYTE DETECTION RECEPTORS LLC (US) 2013-02-21 WO disclosed
US-5948696-A LIBRARY OF COMPOUNDS LINKED TO SOLID SUPPORT; SUPPORT ALSO HAS IDENTIFIER MOLECULE (TAG); FOR USE IN SCREENING BIOLOGICALLY ACTIVE MOLECULES SUCH AS ENZYME INHIBITORS PHARMACOPEIA, INC. (US) 1999-09-07 US disclosed