SCHEMBL5502876

SCHEMBL5502876

CC[C@H](C)CC1(C[C@@H](C)CC)c2ccccc2-c2ccc(B(O)O)cc21

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 7/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
APEX1 P27695 1/20 0.32
RAB9A P51151 1/20 0.30
LPL P06858 2/20 0.30
LIPG Q9Y5X9 2/20 0.30

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
SCHEMBL5497942 1.00 PDK2 (0.34) PDK2CA1CA2APEX1RAB9A
SCHEMBL5502099 0.95 PDK2 (0.34) PDK2CA1CA2
SCHEMBL5497590 0.95 PDK2 (0.34) PDK2CA1CA2
SCHEMBL5503192 0.83
SCHEMBL5503913 0.83
SCHEMBL29957011 0.83 CA1 (0.38) PDK2CA1CA2APEX1LPL
SCHEMBL430235 0.83 CA1 (0.38) PDK2CA1CA2APEX1LPL
SCHEMBL3444144 0.80 APEX1 (0.41) PDK2CA1CA2APEX1LPL
SCHEMBL5502914 0.79 PDK2 (0.43) PDK2APEX1
SCHEMBL5653817 0.79 PDK2 (0.43) PDK2APEX1

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
EP-1425168-A4 LIGHT-EMITTING ORGANIC OLIGOMER COMPOSITIONS UNIV ROCHESTER (US) 2007-01-03 EP disclosed
US-7057009-B2 Crosslinking polyfluorene; molecular orientation UNIVERSITY OF ROCHESTER (US) 2006-06-06 US disclosed
EP-1425168-A2 LIGHT-EMITTING ORGANIC OLIGOMER COMPOSITIONS University of Rochester (US) 2004-06-09 EP disclosed
US-20030039838-A1 Light-emitting organic oligomer compositions UNIVERSITY OF ROCHESTER 2003-02-27 US disclosed
WO-2003008475-A2 LIGHT-EMITTING ORGANIC OLIGOMER COMPOSITIONS UNIVERSITY OF ROCHESTER (US) 2003-01-30 WO disclosed