SCHEMBL2353344

SCHEMBL2353344

C=Cc1ccc(-c2ccccc2)cc1.C=Cc1ccccc1F

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
TSHR P16473 1/20 0.46
NFE2L2 Q16236 9/20 0.46
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
RELA Q04206 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.37
SIRT1 Q96EB6 1/20 0.37
SIRT3 Q9NTG7 1/20 0.37
SIRT5 Q9NXA8 1/20 0.37
POLB P06746 1/20 0.36
HDAC2 Q92769 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
SCHEMBL29906330 0.82
SCHEMBL15056 0.82 ALDH1A1 (0.68) ALDH1A1TSHRSIRT2SIRT1SIRT3
SCHEMBL50061 0.82
SCHEMBL447854 0.82 ALDH1A1 (0.68) ALDH1A1TSHRSIRT2SIRT1SIRT3
SCHEMBL8758080 0.82 ALDH1A1 (0.68) ALDH1A1TSHRSIRT2SIRT1SIRT3
SCHEMBL2997715 0.82 ALDH1A1 (0.68) ALDH1A1TSHRSIRT2SIRT1SIRT3
Methane SCHEMBL11859929 0.80 NFE2L2 (0.59) ALDH1A1NFE2L2NPC1
Ethylene SCHEMBL28761744 0.80 NFE2L2 (0.59) ALDH1A1NFE2L2NPC1
Water SCHEMBL27875439 0.80 NFE2L2 (0.59) ALDH1A1NFE2L2NPC1
Fluoride SCHEMBL9324614 0.80 ALDH1A1 (0.65) ALDH1A1TSHRSIRT2SIRT1SIRT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8658718-B2 Molding material, use thereof, and process for producing molding material MITSUI CHEMICALS, INC. (JP) 2014-02-25 US disclosed
US-20120277355-A1 RESIN COMPOSITION AND USE THEREOF MITSUI CHEMICALS, INC. (JP) 2012-11-01 US disclosed
EP-1887042-B1 MOLDING MATERIAL, USE THEREOF, AND PROCESS FOR PRODUCING MOLDING MATERIAL MITSUI CHEMICALS INC (JP) 2011-08-24 EP disclosed
US-20100016542-A1 Molding material, use thereof, and process for producing molding material MITSUI CHEMICALS, INC. (JP) 2010-01-21 US disclosed
EP-1767576-B1 RESIN COMPOSITION AND USE THEREOF MITSUI CHEMICALS INC (JP) 2009-12-02 EP disclosed
US-20080304393-A1 Resin Composition And Use Thereof MITSUI CHEMICALS, INC. 2008-12-11 US disclosed
EP-1887042-A1 MOLDING MATERIAL, USE THEREOF, AND PROCESS FOR PRODUCING MOLDING MATERIAL Mitsui Chemicals, Inc. (JP) 2008-02-13 EP disclosed
EP-1767576-A1 RESIN COMPOSITION AND USE THEREOF Mitsui Chemicals, Inc. (JP) 2007-03-28 EP disclosed