SCHEMBL362960

SCHEMBL362960

COc1ccc(C(CC=O)(c2ccc(Br)cc2)c2ccc(C)cc2F)cn1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.36
GPR183 P32249 5/20 0.32
KCNH2 Q12809 1/20 0.32
THRB P10828 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
CYP11B2 P19099 1/20 0.31
KIF11 P52732 1/20 0.30
PDE3B Q13370 1/20 0.30
PDE3A Q14432 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
SCHEMBL362683 0.89 ERN1 (0.38) ERN1GPR183THRB
SCHEMBL371298 0.86 ERN1 (0.35) ERN1GPR183KCNH2THRB
SCHEMBL365266 0.83 ERN1 (0.35) ERN1LMNA
SCHEMBL364766 0.75 GPR183 (0.33) GPR183KCNH2
SCHEMBL363777 0.72 KMT2A (0.39) KCNH2ALDH1A1LMNAKIF11
SCHEMBL362479 0.72 HDAC3 (0.30)
SCHEMBL364445 0.70 CYP3A4 (0.35)
SCHEMBL363931 0.65 TSHR (0.39) KCNH2ALDH1A1LMNA
SCHEMBL363954 0.65 HDAC6 (0.32)
SCHEMBL362959 0.62 GPR183 (0.39) GPR183KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2593426-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 EP disclosed
WO-2012007365-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 WO disclosed