SCHEMBL9630677

SCHEMBL9630677

C=CCc1cccc(OCC2CO2)c1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
GLA P06280 1/20 0.49
CYP3A4 P08684 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
HIF1A Q16665 1/20 0.41
ALOX15 P16050 1/20 0.41
DRD4 P21917 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
KDM4E B2RXH2 3/20 0.38
ADRA2C P18825 2/20 0.38
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
PKM P14618 1/20 0.36
POLB P06746 1/20 0.36
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
MAPT P10636 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
SCHEMBL16828373 0.91 ALDH1A1 (0.49) ALDH1A1GLACYP3A4SMN1; SMN2TP53
SCHEMBL11593428 0.90 ALDH1A1 (0.46) ALDH1A1GLACYP3A4SMN1; SMN2TP53
SCHEMBL11592482 0.86 ALDH1A1 (0.44) ALDH1A1GLACYP3A4SMN1; SMN2TP53
SCHEMBL10633815 0.84 ALDH1A1 (0.49) ALDH1A1GLACYP3A4SMN1; SMN2TP53
SCHEMBL251705 0.83 ALDH1A1 (0.57) ALDH1A1GLACYP3A4SMN1; SMN2TP53
SCHEMBL7092232 0.83 ALDH1A1 (0.57) ALDH1A1GLACYP3A4SMN1; SMN2TP53
SCHEMBL9535351 0.83 ALDH1A1 (0.57) ALDH1A1GLACYP3A4SMN1; SMN2TP53
SCHEMBL30170490 0.83 ALDH1A1 (0.57) ALDH1A1GLACYP3A4SMN1; SMN2TP53
SCHEMBL19612271 0.83 ALDH1A1 (0.64) ALDH1A1GLACYP3A4SMN1; SMN2TP53
SCHEMBL9356930 0.82 ALDH1A1 (0.49) ALDH1A1GLACYP3A4SMN1; SMN2TP53

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