SCHEMBL7968987

SCHEMBL7968987

COc1ccc(C2(c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)OC(=O)C(O)=C2O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
MAOB P27338 2/20 0.40
GSK3B P49841 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
AHR P35869 1/20 0.39
KIF11 P52732 1/20 0.39
EDNRA P25101 2/20 0.38
ME2 P23368 1/20 0.38
ME1 P48163 1/20 0.38
ME3 Q16798 1/20 0.38
CYP1A1 P04798 1/20 0.38
CYP1B1 Q16678 1/20 0.38

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
SCHEMBL7972602 0.86 KIF11 (0.39) MAOBKDM4EKIF11CYP1A1CYP1B1
SCHEMBL6026415 0.86 KDM4E (0.47) MAOBKDM4ENPC1HPGDRAB9A
SCHEMBL7968717 0.86 KIF11 (0.46) TP53GPR55KDM4ESMN1; SMN2TDP1
SCHEMBL7539856 0.80 ABCG2 (0.37) ABCG2RAB9AKIF11
SCHEMBL7968670 0.77 KIF11 (0.42) KDM4EKIF11ALDH1A1
SCHEMBL6026074 0.75 KDM4E (0.46) TP53MAOBKDM4ENPC1HPGD
SCHEMBL3992142 0.73 KIF11 (0.54) TP53MAOBGSK3BRAB9AAHR
SCHEMBL5693270 0.72 KIF11 (0.70) TP53MAOBGSK3BNPC1RAB9A
SCHEMBL6026701 0.71 EDNRA (0.43) TP53KDM4ENPC1HPGDRAB9A
SCHEMBL7956413 0.71 CFTR (0.39) TP53GPR55SMN1; SMN2TDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6265436-B1 ANTIINFLAMMATORY AGENTS OXIS THERAPEUTICS INC. 2001-07-24 US disclosed