SCHEMBL9702630

SCHEMBL9702630

CCCOc1cccc(C(C)=O)c1OCCC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 8/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
ALDH1A1 P00352 3/20 0.54
KDM4E B2RXH2 2/20 0.54
MAPT P10636 4/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
CA9 Q16790 1/20 0.46
CHRM2 P08172 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NR1I2 O75469 1/20 0.45
CYP3A4 P08684 1/20 0.45
ADRA2A P08913 1/20 0.45
OPRK1 P41145 1/20 0.45
HTR2B P41595 1/20 0.45
SLC6A3 Q01959 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HIF1A Q16665 2/20 0.45

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
SCHEMBL5546782 0.92 LMNA (0.56) LMNASMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL9374466 0.90 LMNA (0.55) LMNASMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL17231059 0.89 LMNA (0.60) LMNASMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL9528491 0.89 KDM4E (0.53) LMNASMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL9373776 0.88 LMNA (0.47) LMNASMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL9376948 0.87 LMNA (0.46) LMNASMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL810987 0.87 KMT2A (0.51) LMNAALDH1A1KDM4EMAPTCNR1
SCHEMBL27731675 0.85 LMNA (0.59) LMNASMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL3135517 0.84 LMNA (0.74) LMNASMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL9374255 0.84 LMNA (0.46) LMNASMN1; SMN2ALDH1A1KDM4EMAPT

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
WO-1992006085-A1 PHENYLPYRIDINOL DERIVATIVES AS MEDICAMENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1992-04-16 WO disclosed