SCHEMBL9528504

SCHEMBL9528504

C=CCc1c(OCCC)cccc1C(=O)COC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.41
CNR2 P34972 3/20 0.41
KDM4E B2RXH2 3/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HIF1A Q16665 1/20 0.37
LMNA P02545 3/20 0.36
MAPT P10636 2/20 0.36
NR1I2 O75469 1/20 0.36
CHRM2 P08172 1/20 0.36
CYP3A4 P08684 1/20 0.36
ADRA2A P08913 1/20 0.36
OPRK1 P41145 1/20 0.36
HTR2B P41595 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
ALDH1A1 P00352 2/20 0.35
PKM P14618 1/20 0.35
HTT P42858 1/20 0.35
NLRP1 Q9C000 1/20 0.35

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
SCHEMBL2844425 0.79 MCHR1 (0.41) CNR2KDM4EMEN1KMT2AHIF1A
SCHEMBL2841256 0.77 ALDH1A1 (0.44) KDM4EMEN1KMT2ALMNAMAPT
SCHEMBL2839900 0.76 GABRA1 (0.45) CNR1CNR2LMNAMAPTCYP3A4
SCHEMBL2849926 0.75 CYP1A2 (0.46) CNR1CNR2KDM4EMEN1KMT2A
SCHEMBL2842248 0.75 L3MBTL1 (0.41) KDM4EMAPTALDH1A1GABRA1GABRB2
SCHEMBL2844525 0.74 HPGD (0.43) KDM4EMEN1KMT2ALMNAMAPT
SCHEMBL7169652 0.72 TSHR (0.45) KDM4EMEN1KMT2ALMNACYP3A4
SCHEMBL2839258 0.72 CYP1A2 (0.49) CNR1CNR2KDM4EMEN1KMT2A
SCHEMBL2848364 0.70 MCHR1 (0.42) KDM4ELMNAMAPTHTR2BALDH1A1
SCHEMBL2423123 0.70 HTT (0.49) KDM4EMEN1KMT2ACYP3A4ALDH1A1

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