SCHEMBL9528491

SCHEMBL9528491

C=CCCOc1c(OCCC)cccc1C(C)=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.53
LMNA P02545 6/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
CA9 Q16790 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HIF1A Q16665 1/20 0.38
NR1I2 O75469 1/20 0.38
CHRM2 P08172 1/20 0.38
CYP3A4 P08684 1/20 0.38
ADRA2A P08913 1/20 0.38
OPRK1 P41145 1/20 0.38
HTR2B P41595 1/20 0.38
SLC6A3 Q01959 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL9702630 0.89 LMNA (0.54) KDM4ELMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL615999 0.82 KDM4E (0.72) KDM4ELMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL30480747 0.82 KDM4E (0.72) KDM4ELMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL5546782 0.82 LMNA (0.56) KDM4ELMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL9374466 0.80 LMNA (0.55) KDM4ELMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL17231059 0.79 LMNA (0.60) KDM4ELMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL9373776 0.78 LMNA (0.47) KDM4ELMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL3944765 0.77 LIG1 (0.54) KDM4ELMNASMN1; SMN2ALDH1A1CYP3A4
SCHEMBL9376948 0.77 LMNA (0.46) KDM4ELMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL810987 0.77 KMT2A (0.51) KDM4ELMNAALDH1A1MAPTCNR1

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-0550576-A1 PHENYLPYRIDINOL DERIVATIVES AS MEDICAMENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1993-07-14 EP disclosed