SCHEMBL28295987

SCHEMBL28295987

C=CCc1ccc(O)c(N)c1CC=C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 5/20 0.48
GABRB2 P47870 5/20 0.48
POLB P06746 2/20 0.42
XDH P47989 2/20 0.41
CNR2 P34972 3/20 0.40
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 2/20 0.40
GAA P10253 2/20 0.40
MAPT P10636 2/20 0.40
CNR1 P21554 2/20 0.40
KMT2A Q03164 2/20 0.40
AKR1B1 P15121 2/20 0.40
HPGD P15428 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH2 P05091 1/20 0.40
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALOX5 P09917 3/20 0.39
SRD5A1 P18405 2/20 0.39

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
SCHEMBL27914613 0.90 GABRA1 (0.41) GABRA1GABRB2POLBXDHCNR2
SCHEMBL11126244 0.86 SRD5A1 (0.46) GABRA1GABRB2POLBXDHCNR2
SCHEMBL10480235 0.85 GABRA1 (0.48) GABRA1GABRB2POLBXDHCNR2
SCHEMBL45432 0.82 GABRA1 (0.53) GABRA1GABRB2POLBXDHCNR2
SCHEMBL1415804 0.80 IMPDH2 (0.41) GABRA1GABRB2POLBIMPDH2
SCHEMBL9297409 0.80 GABRA1 (0.52) GABRA1GABRB2POLBXDHCNR2
SCHEMBL7943871 0.80 GABRA1 (0.52) GABRA1GABRB2POLBXDHCNR2
SCHEMBL10907261 0.79 GABRA1 (0.47) GABRA1GABRB2POLBXDHCNR2
SCHEMBL9268985 0.78 GABRA1 (0.50) GABRA1GABRB2POLBXDHCNR2
SCHEMBL11820117 0.77 GABRA1 (0.48) GABRA1GABRB2POLBXDHCNR2

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
CN-109689634-A The manufacturing method of polynary glycidyl compound 昭和电工株式会社 2019-04-26 CN claimed
CN-109689634-A The manufacturing method of polynary glycidyl compound 昭和电工株式会社 2019-04-26 CN disclosed