SCHEMBL11162005

SCHEMBL11162005

ClC/C=C/c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.56
KDM4E B2RXH2 2/20 0.56
APP P05067 4/20 0.54
ALDH1A1 P00352 3/20 0.53
THRB P10828 1/20 0.53
POLB P06746 1/20 0.52
UBE2N P61088 1/20 0.52
KMT2A Q03164 1/20 0.52
GSK3B P49841 1/20 0.50
PTGER4 P35408 1/20 0.49
PTGER3 P43115 1/20 0.49
PTGER2 P43116 1/20 0.49
AKR1C3 P42330 2/20 0.49
SIRT2 Q8IXJ6 1/20 0.49
NPC1 O15118 1/20 0.48
NFKB1 P19838 1/20 0.48
RAB9A P51151 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL11162008 1.00 LMNA (0.56) LMNAKDM4EAPPALDH1A1THRB
SCHEMBL3681804 0.85 LMNA (0.60) LMNAKDM4EAPPALDH1A1THRB
SCHEMBL3672656 0.85 LMNA (0.60) LMNAKDM4EAPPALDH1A1THRB
SCHEMBL2604928 0.84 LCK (0.62) LMNAKDM4EAPPALDH1A1THRB
SCHEMBL7086043 0.84 LMNA (0.59) LMNAKDM4EAPPALDH1A1THRB
SCHEMBL2092149 0.81 LMNA (0.59) LMNAKDM4EAPPALDH1A1THRB
SCHEMBL4447847 0.81 LMNA (0.59) LMNAKDM4EAPPALDH1A1THRB
SCHEMBL2092146 0.81 LMNA (0.59) LMNAKDM4EAPPALDH1A1THRB
SCHEMBL2604940 0.81 LMNA (0.58) LMNAKDM4EAPPALDH1A1THRB
SCHEMBL11335643 0.80 LMNA (0.52) 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-0071399-A2 Substituted pyrrolidine cardiovascular system regulators and antihypertensives, their preparation and use SYNTEX (U.S.A.) INC. (US) 1983-02-09 EP disclosed