SCHEMBL4299693

SCHEMBL4299693

NCC(OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.50
CHRNB2 P17787 1/20 0.49
CHRNA4 P43681 1/20 0.49
AGXT P21549 1/20 0.48
TSHR P16473 1/20 0.48
SLC1A3 P43003 2/20 0.47
SLC1A2 P43004 2/20 0.47
SLC1A1 P43005 2/20 0.47
MEN1 O00255 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 1/20 0.47
LOXL2 Q9Y4K0 2/20 0.44
MAOB P27338 2/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
RAB9A P51151 2/20 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
SCHEMBL17264302 0.82 IDO1 (0.50) IDO1CHRNB2CHRNA4AGXTTSHR
SCHEMBL7011964 0.82 TSHR (0.48) IDO1CHRNB2CHRNA4AGXTTSHR
SCHEMBL3276722 0.81 TSHR (0.52) IDO1AGXTTSHRSLC1A3SLC1A2
SCHEMBL28795432 0.80 SLC1A3 (0.50) IDO1CHRNB2CHRNA4AGXTTSHR
SCHEMBL8775978 0.78 SLC1A3 (0.49) IDO1CHRNB2CHRNA4AGXTTSHR
SCHEMBL4270699 0.78 IDO1 (0.46) IDO1CHRNB2CHRNA4AGXTTSHR
SCHEMBL4274125 0.78 IDO1 (0.46) IDO1CHRNB2CHRNA4AGXTTSHR
SCHEMBL18579815 0.78 IDO1 (0.46) IDO1CHRNB2CHRNA4AGXTTSHR
SCHEMBL7864015 0.78 IDO1 (0.46) IDO1CHRNB2CHRNA4AGXTTSHR
SCHEMBL18580195 0.78 IDO1 (0.46) IDO1CHRNB2CHRNA4AGXTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7556806-B2 Carbohydrate-based synthetic vaccines for HIV UNIVERSITY OF MARYLAND BIOTECHNOLOGY INSTITUTE (US) 2009-07-07 US disclosed
EP-1572963-A4 CARBOHYDRATE-BASED SYNTHETIC VACCINES FOR HIV UNIV MARYLAND BIOTECH INST (US) 2007-08-22 EP disclosed
US-20050244424-A1 Carbohydrate-based synthetic vaccines for hiv MARYLAND, BALTIMORE, UNIVERSITY OF 2005-11-03 US disclosed
EP-1572963-A2 CARBOHYDRATE-BASED SYNTHETIC VACCINES FOR HIV University of Maryland Biotechnology Institute (US) 2005-09-14 EP disclosed
WO-2004033663-A2 CARBOHYDRATE-BASED SYNTHETIC VACCINES FOR HIV UNIVERSITY OF MARYLAND BIOTECHNOLOGY INSTITUTE OFF. OF RESEARCH ADMIN./ TECH. DEV. (US) 2004-04-22 WO disclosed