SCHEMBL8533225

SCHEMBL8533225

O=C1c2ccccc2OC2CC3(CC(Br)C12)OCCO3

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.33
KDM4E B2RXH2 2/20 0.33
HSD17B10 Q99714 2/20 0.33
MAOB P27338 2/20 0.33
ADORA3 P0DMS8 1/20 0.33
AR P10275 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
RET P07949 1/20 0.32
KDR P35968 1/20 0.32
STK17B O94768 1/20 0.31
PARP1 P09874 1/20 0.31
SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL877529 0.75 ADORA3 (0.33) CYP19A1KDM4EHSD17B10MAOBADORA3
SCHEMBL15287877 0.72 ADORA3 (0.36) CYP19A1KDM4EHSD17B10MAOBADORA3
SCHEMBL19450713 0.66 CYP19A1 (0.47) CYP19A1KDM4EHSD17B10MAOBADORA3
SCHEMBL19456823 0.66 CYP19A1 (0.47) CYP19A1KDM4EHSD17B10MAOBADORA3
SCHEMBL1429502 0.64 STK17B (0.46) CYP19A1KDM4EHSD17B10MAOBADORA3
SCHEMBL31015940 0.62 RET (0.41) CYP19A1KDM4EHSD17B10MAOBADORA3
SCHEMBL9932454 0.62 PBRM1 (0.40) CYP19A1ARMEN1KMT2A
SCHEMBL891447 0.62 PBRM1 (0.40) CYP19A1ARMEN1KMT2A
SCHEMBL882871 0.62 PBRM1 (0.40) CYP19A1ARMEN1KMT2A
SCHEMBL8515749 0.60 CYP19A1 (0.40) CYP19A1KDM4EHSD17B10MAOBADORA3

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
WO-2012071458-A1 HETEROCYCLIC INHIBITORS OF BETA - SECRETASE FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. (US) 2012-05-31 WO disclosed