SCHEMBL11335643

SCHEMBL11335643

BrCCCC=Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
KDM4E B2RXH2 2/20 0.52
APP P05067 6/20 0.50
GSK3B P49841 1/20 0.49
POLB P06746 1/20 0.48
UBE2N P61088 1/20 0.48
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 3/20 0.46
THRB P10828 1/20 0.46
PTGER4 P35408 1/20 0.46
PTGER3 P43115 1/20 0.46
PTGER2 P43116 1/20 0.46
AKR1C3 P42330 1/20 0.46
SIRT2 Q8IXJ6 1/20 0.45
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HPGD P15428 2/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL10826169 0.83 LMNA (0.58) LMNAKDM4EAPPPOLBKMT2A
SCHEMBL10826166 0.83 LMNA (0.58) LMNAKDM4EAPPPOLBKMT2A
SCHEMBL10463967 0.81 APP (0.53) LMNAKDM4EAPPPOLBKMT2A
SCHEMBL10463964 0.81 APP (0.53) LMNAKDM4EAPPPOLBKMT2A
SCHEMBL11162008 0.80 LMNA (0.56) LMNAKDM4EAPPGSK3BPOLB
SCHEMBL11162005 0.80 LMNA (0.56) LMNAKDM4EAPPGSK3BPOLB
SCHEMBL3681804 0.80 LMNA (0.60) LMNAKDM4EAPPGSK3BPOLB
SCHEMBL3672656 0.80 LMNA (0.60) LMNAKDM4EAPPGSK3BPOLB
SCHEMBL2604928 0.79 LCK (0.62) LMNAKDM4EAPPGSK3BPOLB
SCHEMBL10826286 0.79 LMNA (0.57) LMNAKDM4EAPPALDH1A1THRB

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-0022408-A1 Derivatives of alpha-phenyl-2-pyrrolidine methanol and their salts, process for their preparation, use as medicines and compositions containing them ROUSSEL-UCLAF (FR) 1981-01-14 EP disclosed