SCHEMBL9630670

SCHEMBL9630670

C=CCCOc1ccccc1OCC1CO1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
GLA P06280 1/20 0.57
TDP1 Q9NUW8 1/20 0.49
KDM4E B2RXH2 1/20 0.47
TSHR P16473 4/20 0.44
TP53 P04637 3/20 0.44
HIF1A Q16665 2/20 0.44
CYP3A4 P08684 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HTR1A P08908 3/20 0.40
ADRA1A P35348 3/20 0.40
ADRB2 P07550 2/20 0.40
SLC6A2 P23975 1/20 0.40
HTR2A P28223 1/20 0.40
SLC6A4 P31645 1/20 0.40
HTR2B P41595 1/20 0.40
SLC6A3 Q01959 1/20 0.40
ADRA2C P18825 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 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
SCHEMBL7054912 0.84 ALDH1A1 (0.60) ALDH1A1GLATDP1KDM4ETSHR
SCHEMBL31384189 0.84 ALDH1A1 (0.60) ALDH1A1GLATDP1KDM4ETSHR
SCHEMBL7460830 0.84 ALDH1A1 (0.60) ALDH1A1GLATDP1KDM4ETSHR
SCHEMBL7519381 0.84 ALDH1A1 (0.60) ALDH1A1GLATDP1KDM4ETSHR
SCHEMBL679937 0.83 ALDH1A1 (0.78) ALDH1A1GLATDP1TSHRTP53
SCHEMBL22357196 0.83 ALDH1A1 (0.78) ALDH1A1GLATDP1TSHRTP53
SCHEMBL22092654 0.82 ALDH1A1 (0.66) ALDH1A1GLATDP1TSHRTP53
SCHEMBL22092172 0.82 ALDH1A1 (0.66) ALDH1A1GLATDP1TSHRTP53
SCHEMBL16581566 0.81 KDM4E (0.62) ALDH1A1TDP1KDM4ETSHRSMN1; SMN2
SCHEMBL1021608 0.81 ALDH1A1 (0.60) ALDH1A1GLATDP1TSHRTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0236933-B1 THERMOSETTING RESIN COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-06-03 EP disclosed
US-4755569-A Thermosetting resin composition comprising a partly allylated novolac epoxy resin and bismaleimide SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-07-05 US disclosed
EP-0236933-A2 Thermosetting resin composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-09-16 EP disclosed