SCHEMBL7499883

SCHEMBL7499883

CCc1ccccc1/C=C/C(=O)O.O=C(O)/C=C/c1ccccc1C(F)(F)F

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.60
MAOB P27338 7/20 0.56
P4HB P07237 1/20 0.51
ABCG2 Q9UNQ0 1/20 0.51
BACE1 P56817 1/20 0.51
PTGER3 P43115 4/20 0.50
PTGER2 P43116 4/20 0.50
PTGER4 P35408 3/20 0.50
LMNA P02545 3/20 0.50
MAPT P10636 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
TBXA2R P21731 2/20 0.48
PTGDR Q13258 2/20 0.48
MAOA P21397 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
PTGER1 P34995 1/20 0.46
PTGFR P43088 1/20 0.46
KEAP1 Q14145 1/20 0.46
NFE2L2 Q16236 1/20 0.46

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
SCHEMBL8055837 0.88 NFKB1 (0.77) NFKB1MAOBP4HBABCG2BACE1
SCHEMBL29365331 0.88 NFKB1 (0.77) NFKB1MAOBP4HBABCG2BACE1
SCHEMBL82266 0.88 NFKB1 (0.77) NFKB1MAOBP4HBABCG2BACE1
SCHEMBL82267 0.88 NFKB1 (0.77) NFKB1MAOBP4HBABCG2BACE1
Hydrochloric Acid SCHEMBL6821798 0.86 NFKB1 (0.74) NFKB1MAOBP4HBABCG2BACE1
SCHEMBL1150939 0.86 PTGER3 (0.63) NFKB1PTGER3PTGER2PTGER4MAPT
SCHEMBL3214322 0.86 PTGER3 (0.63) NFKB1PTGER3PTGER2PTGER4MAPT
SCHEMBL309761 0.86 PTGER3 (0.63) NFKB1PTGER3PTGER2PTGER4MAPT
SCHEMBL7499891 0.84 BACE1 (0.60) NFKB1MAOBP4HBABCG2BACE1
SCHEMBL9518819 0.81 NFKB1 (0.50) NFKB1MAOBP4HBABCG2BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1218337-A4 SYNTHESIS OF 3,5,7]-1H-IMIDAZO 1,5-A]IMIDAZOL-2(3H)-ONE COMPOUNDS TORREY PINES INST (US) 2002-09-11 EP disclosed
EP-1218337-A1 SYNTHESIS OF 3,5,7]-1H-IMIDAZO 1,5-A]IMIDAZOL-2(3H)-ONE COMPOUNDS TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) 2002-07-03 EP disclosed
WO-2001019783-A1 SYNTHESIS OF [3,5,7]-1H-IMIDAZO[1,5-A]IMIDAZOL-2(3H)-ONE COMPOUNDS TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) 2001-03-22 WO disclosed