SCHEMBL10068089

SCHEMBL10068089

CCC(OCc1ccc(C(C)C)cc1)OCc1ccc(C(C)C)cc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.57
NFE2L2 Q16236 1/20 0.43
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.39
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
EPHX1 P07099 1/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
ALOX5 P09917 1/20 0.36
ESR1 P03372 2/20 0.36
ESR2 Q92731 2/20 0.36
PYCR1 P32322 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35

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
SCHEMBL10068532 0.93 IDO1 (0.50) IDO1NFE2L2RXRARXRBL3MBTL1
SCHEMBL14196458 0.82 IDO1 (0.44) IDO1RXRARXRBL3MBTL1NPC1
SCHEMBL4314773 0.82 TSHR (0.41) IDO1L3MBTL1RAB9A
SCHEMBL260335 0.81 IDO1 (0.63) IDO1NFE2L2RXRARXRBL3MBTL1
SCHEMBL11237418 0.78 IDO1 (0.55) IDO1NFE2L2RXRARXRBL3MBTL1
SCHEMBL3079998 0.77 TSHR (0.48) IDO1L3MBTL1
SCHEMBL11341386 0.76 IDO1 (0.68) IDO1NFE2L2RXRARXRBL3MBTL1
SCHEMBL2293769 0.76 IDO1 (0.68) IDO1NFE2L2RXRARXRBL3MBTL1
SCHEMBL260301 0.76 IDO1 (0.57) IDO1NFE2L2RXRARXRBL3MBTL1
SCHEMBL8750539 0.75 IDO1 (0.61) IDO1NFE2L2RXRARXRBL3MBTL1

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-8092720-B2 Polymer-supported metal complex catalyst NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2012-01-10 US disclosed