SCHEMBL7523023

SCHEMBL7523023

CCC(O)CC=COC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.34
GRIN1 Q05586 4/20 0.34
GRIN2A Q12879 4/20 0.34
GRIN2D O15399 3/20 0.34
GRIN2C Q14957 3/20 0.34
GRIN2B Q13224 2/20 0.34
KIF11 P52732 1/20 0.32
KDM4E B2RXH2 1/20 0.31
TK1 P04183 1/20 0.31
ALDH1A1 P00352 2/20 0.31
ALOX15 P16050 1/20 0.31
SLC18A3 Q16572 2/20 0.31
CTSK P43235 1/20 0.31
GAA P10253 1/20 0.31
PKM P14618 1/20 0.31
TRPA1 O75762 1/20 0.30
PTPN1 P18031 1/20 0.30
KCNN4 O15554 1/20 0.30

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
SCHEMBL7514202 0.84 LMNA (0.37) LMNAGRIN1GRIN2AGRIN2DGRIN2C
SCHEMBL26131423 0.84 LMNA (0.37) LMNAGRIN1GRIN2AGRIN2DGRIN2C
SCHEMBL5775911 0.73 HTT (0.40) LMNAALDH1A1GAAPKMTRPA1
SCHEMBL4771137 0.71 TK1 (0.48) LMNAGRIN1GRIN2AGRIN2DGRIN2C
SCHEMBL21087595 0.71 TK1 (0.48) LMNAGRIN1GRIN2AGRIN2DGRIN2C
SCHEMBL5503987 0.71 ALDH1A1 (0.35) LMNAGRIN1GRIN2AGRIN2DGRIN2C
SCHEMBL993539 0.71 ALDH1A1 (0.35) LMNAGRIN1GRIN2AGRIN2DGRIN2C
SCHEMBL9564566 0.71 KIF11 (0.47) KIF11KCNN4
SCHEMBL5771311 0.69 HTR2A (0.56) LMNA
SCHEMBL5773300 0.69 HTR2A (0.56) LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1173397-A1 STEREOSPECIFIC METHOD FOR PREPARING 4-HYDOXYALK-1-ENE COMPOUNDS PPG-Sipsy S.C.A. (FR) 2002-01-23 EP disclosed
WO-2000066519-A1 STEREOSPECIFIC METHOD FOR PREPARING 4-HYDOXYALK-1-ENE COMPOUNDS PPG-SIPSY S.C.A. (FR) 2000-11-09 WO disclosed