SCHEMBL1899002

SCHEMBL1899002

Fc1ccc(COc2c(-c3ccccc3)cccc2-c2cccc(C=Cc3ccccc3)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 2/20 0.39
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAOB P27338 3/20 0.37
MAOA P21397 2/20 0.37
KMT2A Q03164 3/20 0.36
GRM4 Q14833 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MEN1 O00255 2/20 0.36
GRM5 P41594 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL1897917 0.88 PTGER1 (0.39) PTGER1ALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL1902193 0.77 FEN1 (0.44) PTGER1ALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL1641585 0.77 PTGER1 (0.40) PTGER1ALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL1641975 0.75 PTGER1 (0.47) PTGER1KDM4EL3MBTL1MAOBKMT2A
SCHEMBL8406052 0.71 LCK (0.48) PTGER1ALDH1A1KDM4EMAOBMAOA
SCHEMBL8406054 0.71 LCK (0.48) PTGER1ALDH1A1KDM4EMAOBMAOA
SCHEMBL1759276 0.67 NPC1 (0.42) PTGER1KDM4EMAPTKMT2ANPC1
SCHEMBL1894260 0.67 CCNB2 (0.52) PTGER1ALDH1A1KDM4EMAPTL3MBTL1
SCHEMBL1758846 0.66 KDM1A (0.45) PTGER1ALDH1A1KDM4ESMN1; SMN2MAOB
SCHEMBL12766736 0.66 PTGER1 (0.40) PTGER1ALDH1A1KDM4ESMN1; SMN2MAPT

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