SCHEMBL576992

SCHEMBL576992

CC(C)Cc1cc(C2c3ccccc3-c3ccccc32)ccc1OCCO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
BCL2L1 Q07817 2/20 0.37
MCL1 Q07820 2/20 0.37
BCL2L11 O43521 1/20 0.37
BAK1 Q16611 1/20 0.37
ADRB2 P07550 1/20 0.36
ALOX5AP P20292 2/20 0.35
FEN1 P39748 2/20 0.35
TP53 P04637 2/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
IDO1 P14902 1/20 0.34
KDM4E B2RXH2 5/20 0.34
ALDH1A1 P00352 4/20 0.34
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
PKM P14618 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL576514 0.86 KDM4E (0.39) ADRB2ALOX5APFEN1TP53MAPK1
SCHEMBL8682932 0.85 ALOX5AP (0.32) ADRB2ALOX5APFEN1TP53MAPK1
SCHEMBL8681741 0.84 PPARG (0.39) PPARGPPARDPPARAADRB2ALOX5AP
SCHEMBL576756 0.82 ALDH1A1 (0.40) ADRB2ALOX5APFEN1TP53MAPK1
SCHEMBL8682976 0.82 KDM4E (0.38) PPARGALOX5APFEN1TP53MAPK1
SCHEMBL8686874 0.81 HPGD (0.42) ALOX5APFEN1TP53MAPK1RAB9A
SCHEMBL577512 0.81 L3MBTL1 (0.39) ADRB2ALOX5APFEN1TP53MAPK1
SCHEMBL8681933 0.80 KDM4E (0.37) ADRB2ALOX5APFEN1TP53MAPK1
SCHEMBL577449 0.79 TP53 (0.49) ADRB2ALOX5APFEN1TP53MAPK1
SCHEMBL577661 0.78 KDM4E (0.40) ADRB2ALOX5APFEN1TP53MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2418253-A1 POLYCARBONATE RESIN COMPOSITION, PROCESS FOR PRODUCING MOLDED ARTICLE THEREFROM, AND OPTICAL LENS Mitsubishi Gas Chemical Company, Inc. (JP) 2012-02-15 EP disclosed
US-5780194-A PHOTOSENSITIVE LAYER OF POLYESTER BINDING RESIN, ELECTRIC CHARGE GENERATING MATERIAL, AND HOLE TRANSFERRING MATERIAL MITA INDUSTRIAL CO., LTD. (JP) 1998-07-14 US disclosed