SCHEMBL9230703

SCHEMBL9230703

c1ccc2c(Cc3c(OCC4CO4)c(OCC4CO4)cc4ccccc34)c(OCC3CO3)c(OCC3CO3)cc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
GLA P06280 1/20 0.48
TDP1 Q9NUW8 1/20 0.44
TP53 P04637 3/20 0.43
TSHR P16473 3/20 0.43
HIF1A Q16665 2/20 0.43
CYP3A4 P08684 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PDK1 Q15118 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PTPN1 P18031 1/20 0.34
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
HTR2A P28223 1/20 0.33
CYP1A2 P05177 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
FGFR1 P11362 1/20 0.33
SRC P12931 1/20 0.33
PPARG P37231 1/20 0.33

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
SCHEMBL8840940 0.87 ALDH1A1 (0.51) ALDH1A1GLATDP1TP53TSHR
SCHEMBL31120494 0.87 ALDH1A1 (0.51) ALDH1A1GLATDP1TP53TSHR
SCHEMBL18237415 0.81 ALDH1A1 (0.51) ALDH1A1GLATDP1TP53TSHR
SCHEMBL8118094 0.81 ALDH1A1 (0.51) ALDH1A1GLATDP1TP53TSHR
SCHEMBL30620981 0.81 ALDH1A1 (0.51) ALDH1A1GLATDP1TP53TSHR
SCHEMBL8847178 0.81 ALDH1A1 (0.54) ALDH1A1GLATDP1TP53TSHR
SCHEMBL464600 0.81 TDP1 (0.53) ALDH1A1GLATDP1TP53TSHR
SCHEMBL3952927 0.79 ALDH1A1 (0.49) ALDH1A1GLATDP1TP53TSHR
SCHEMBL7789651 0.78 TDP1 (0.63) ALDH1A1GLATDP1TP53TSHR
SCHEMBL29417585 0.78 TDP1 (0.63) ALDH1A1GLATDP1TP53TSHR

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
US-5480048-A APPLYING A POLYMER COATING ON A SUBSTRATE HITACHI, LTD. (JP) 1996-01-02 US disclosed