SCHEMBL9844965

SCHEMBL9844965

C=CCc1cc(O)cc2oc3ccccc3c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 2/20 0.49
GAA P10253 1/20 0.49
SI P14410 1/20 0.49
MGAM2 Q2M2H8 1/20 0.49
ESR2 Q92731 2/20 0.43
MAOA P21397 6/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ESR1 P03372 1/20 0.39
AURKA O14965 1/20 0.37
DAPK3 O43293 1/20 0.37
MAP4K4 O95819 1/20 0.37
RET P07949 1/20 0.37
IGF1R P08069 1/20 0.37
MET P08581 1/20 0.37
PIM1 P11309 1/20 0.37
LTK P29376 1/20 0.37
KDR P35968 1/20 0.37
MAPK8 P45983 1/20 0.37
MAPK9 P45984 1/20 0.37

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
SCHEMBL7201805 0.81 IGF1R (0.42) MAOAMEN1KMT2AAURKADAPK3
SCHEMBL9844863 0.75 SRD5A1 (0.47) GAAMAOAMEN1KMT2AL3MBTL1
SCHEMBL631900 0.74 MGAM (0.75) MGAMGAASIMGAM2ESR2
SCHEMBL10431895 0.73 SRD5A1 (0.43) MGAMGAASIMGAM2MAOA
SCHEMBL9816460 0.71 NQO2 (0.50) ESR2MEN1KMT2AESR1
SCHEMBL3881299 0.71 GAA (0.57) MGAMGAASIMGAM2ESR2
SCHEMBL11591196 0.71 GAA (0.56) MGAMGAASIMGAM2ESR2
SCHEMBL27656194 0.71 AURKA (0.42) MAOAMEN1KMT2AAURKADAPK3
SCHEMBL28194247 0.70 MAOA (0.53) MGAMGAASIMGAM2MAOA
SCHEMBL3799324 0.69 CA12 (0.57) MAOAMEN1KMT2ACA12CA1

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
EP-0420571-A2 6-and/or 7-substituted -1,2,3,4,4A,9B-hexahydro-8-hydroxydibenzofuran-3-ols as inhibitors of leukotriene biosynthesis MERCK & CO. INC. (US) 1991-04-03 EP disclosed