SCHEMBL22493955

SCHEMBL22493955

c1ccc2c(c1)-c1ccccc1C2(c1ccc(OCC2CO2)c2ccccc12)c1ccc(OCC2CO2)c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
GLA P06280 1/20 0.47
TDP1 Q9NUW8 1/20 0.43
TP53 P04637 3/20 0.39
TSHR P16473 3/20 0.39
HIF1A Q16665 2/20 0.39
CYP3A4 P08684 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PTPN1 P18031 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
PDK1 Q15118 1/20 0.35
FGFR1 P11362 1/20 0.33
SRC P12931 1/20 0.33
MAPT P10636 3/20 0.33
HPGD P15428 3/20 0.33
CYP1A2 P05177 2/20 0.33
PPARG P37231 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 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
SCHEMBL17727799 0.95 ALDH1A1 (0.50) ALDH1A1GLATDP1TP53TSHR
SCHEMBL29592497 0.95 ALDH1A1 (0.50) ALDH1A1GLATDP1TP53TSHR
SCHEMBL21829173 0.89 ALDH1A1 (0.36) ALDH1A1GLATDP1TP53TSHR
SCHEMBL29462126 0.84 ALDH1A1 (0.57) ALDH1A1GLATDP1TP53TSHR
SCHEMBL4763268 0.84 ALDH1A1 (0.57) ALDH1A1GLATDP1TP53TSHR
SCHEMBL20590543 0.84 ALDH1A1 (0.47) ALDH1A1GLATDP1TP53TSHR
SCHEMBL17985071 0.84 ALDH1A1 (0.39) ALDH1A1GLATDP1TP53TSHR
SCHEMBL17985074 0.83 ALDH1A1 (0.38) ALDH1A1GLATDP1TP53TSHR
SCHEMBL1715947 0.82 ALDH1A1 (0.65) ALDH1A1GLATDP1TP53TSHR
SCHEMBL29417583 0.82 ALDH1A1 (0.65) 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-20200319549-A1 PHOTOSENSITIVE RESIN COMPOSITION, CURED FILM, ELEMENT HAVING CURED FILM, ORGANIC EL DISPLAY, AND METHOD FOR MANUFACTURING ORGANIC EL DISPLAY TORAY INDUSTRIES, INC. (JP) 2020-10-08 US disclosed