SCHEMBL11607291

SCHEMBL11607291

OC(c1ccc(Oc2ccc(Cl)cc2)cc1)c1cccnc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.60
CYP19A1 P11511 3/20 0.57
CYP17A1 P05093 1/20 0.55
L3MBTL1 Q9Y468 2/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
GAA P10253 1/20 0.44
TSHR P16473 1/20 0.44
CYP3A4 P08684 3/20 0.42
CYP3A5 P20815 3/20 0.42
LMNA P02545 1/20 0.42
SRD5A2 P31213 1/20 0.42
ALOX15 P16050 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 1/20 0.39
FFAR2 O15552 1/20 0.39
CFTR P13569 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39

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
SCHEMBL2908868 0.91 SMN1; SMN2 (0.72) SMN1; SMN2CYP19A1CYP17A1L3MBTL1GAA
SCHEMBL11605250 0.88 SMN1; SMN2 (0.74) SMN1; SMN2CYP19A1CYP17A1L3MBTL1MAPT
SCHEMBL11609783 0.88 SMN1; SMN2 (0.53) SMN1; SMN2CYP19A1CYP17A1L3MBTL1LMNA
SCHEMBL11614958 0.85 SMN1; SMN2 (0.60) SMN1; SMN2CYP19A1CYP17A1L3MBTL1GAA
SCHEMBL11611752 0.85 SMN1; SMN2 (0.60) SMN1; SMN2CYP17A1L3MBTL1GAATSHR
SCHEMBL28016900 0.82 SRD5A2 (0.59) SRD5A2
SCHEMBL10966183 0.80 SMN1; SMN2 (0.66) SMN1; SMN2CYP17A1L3MBTL1MAPK1GAA
SCHEMBL10965548 0.79 SMN1; SMN2 (0.53) SMN1; SMN2CYP19A1CYP17A1L3MBTL1GAA
SCHEMBL10970695 0.79 SMN1; SMN2 (0.46) SMN1; SMN2CYP19A1CYP17A1MAPK1CYP3A4
SCHEMBL11732756 0.78 SMN1; SMN2 (0.51) SMN1; SMN2CYP17A1L3MBTL1GAATSHR

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-4098908-A PHENOXYPHENYL PYRIDYL KETONES AND DERIVATIVES AND THEIR USE AS HYPOLEPIDEMIC AGENTS SANDOZ, INC. (US) 1978-07-04 US disclosed