SCHEMBL1902193

SCHEMBL1902193

CC(C)(C)c1cccc(-c2cccc(C=Cc3ccccc3)n2)c1OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 1/20 0.44
GRM4 Q14833 4/20 0.40
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 3/20 0.40
RAB9A P51151 3/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HPGD P15428 2/20 0.40
NPC1 O15118 2/20 0.40
PKM P14618 2/20 0.40
GRM5 P41594 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
CYP2C19 P33261 1/20 0.40
THPO P40225 1/20 0.40

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
SCHEMBL1899002 0.77 PTGER1 (0.39) GRM4KDM4EALDH1A1RAB9AHDAC6
SCHEMBL1643036 0.76 FEN1 (0.47) FEN1PKMALOX5APRXRARXRB
SCHEMBL1897917 0.76 PTGER1 (0.39) GRM4KDM4EALDH1A1RAB9AHDAC6
SCHEMBL1643430 0.75 FEN1 (0.43) FEN1HPGDGRM5ALOX5APRXRA
SCHEMBL1638838 0.71 MAOA (0.51) FEN1RAB9ANPC1RXRARXRB
SCHEMBL27866376 0.71 FEN1 (0.42) FEN1SMN1; SMN2TSHRALOX5APRXRA
SCHEMBL1759281 0.70 TLR4 (0.42) FEN1KDM4EALDH1A1PKMGRM5
SCHEMBL1759295 0.70 FEN1 (0.42) FEN1GRM5ALOX5APRXRARXRB
SCHEMBL12772154 0.70 FEN1 (0.45) FEN1KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL1759014 0.70 NFE2L2 (0.46) KDM4EALDH1A1HPGDCYP1A1CYP1A2

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-2493935-A2 CATALYST COMPOUNDS AND USE THEREOF Exxonmobil Chemical Patents Inc. (US) 2012-09-05 EP disclosed
WO-2011056431-A2 CATALYST COMPOUNDS AND USE THEREOF EXXONMOBIL CHEMICAL PATENTS INC. (US) 2011-05-12 WO disclosed