SCHEMBL22100780

SCHEMBL22100780

O=C(COc1c2ccccc2c(OCC(=O)OCCO)c2ccccc12)OCCO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
RECQL P46063 1/20 0.42
GAA P10253 2/20 0.41
IDO1 P14902 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
CASP3 P42574 1/20 0.38
CASP7 P55210 1/20 0.38
CASP9 P55211 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 2/20 0.37
HPGD P15428 1/20 0.37
POLB P06746 1/20 0.37
APEX1 P27695 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36

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
SCHEMBL30594159 1.00 ALDH1A1 (0.42) ALDH1A1RECQLGAAIDO1TDP1
SCHEMBL30594089 0.87 TDP1 (0.43) ALDH1A1TDP1MAPTMEN1KMT2A
SCHEMBL30594109 0.85 LMNA (0.38) ALDH1A1GAATDP1CASP3CASP7
SCHEMBL30594155 0.84 ALDH1A1 (0.49) ALDH1A1GAATDP1CASP3CASP7
SCHEMBL21883680 0.84 ALDH1A1 (0.49) ALDH1A1GAATDP1CASP3CASP7
SCHEMBL21883678 0.81 ALDH1A1 (0.52) ALDH1A1GAATDP1SMN1; SMN2MAPT
SCHEMBL21883677 0.80 TSHR (0.53) ALDH1A1TDP1LMNAKDM4EHPGD
SCHEMBL30594136 0.80 TSHR (0.53) ALDH1A1TDP1LMNAKDM4EHPGD
SCHEMBL1396715 0.80 ALDH1A1 (0.64) ALDH1A1RECQLGAATDP1SMN1; SMN2
SCHEMBL21883681 0.80 CASP3 (0.55) ALDH1A1GAACASP3CASP7CASP9

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
WO-2020121384-A1 PHOTOPOLYMERIZATION SENSITIZER HAVING MIGRATION RESISTANCE 川崎化成工業株式会社 2020-06-18 WO disclosed