SCHEMBL25713371

SCHEMBL25713371

CC(=O)OCCOCCOCCOc1ccccc1-c1nc2ccccc2s1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
RAB9A P51151 4/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
NPC1 O15118 3/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
KDM4E B2RXH2 8/20 0.46
MAPT P10636 9/20 0.45
GAA P10253 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HCRTR1 O43613 1/20 0.43
GLA P06280 1/20 0.43
NPY1R P25929 1/20 0.42
NPY2R P49146 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
LMNA P02545 2/20 0.42
RXFP1 Q9HBX9 2/20 0.42

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
SCHEMBL25711510 0.86 THRB (0.44) ALDH1A1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL12545495 0.85 ALDH1A1 (0.48) ALDH1A1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL25711522 0.84 NPC1 (0.51) ALDH1A1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL24556005 0.84 ALDH1A1 (0.57) ALDH1A1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL12545815 0.81 MAPT (0.47) ALDH1A1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL25713617 0.81 SMN1; SMN2 (0.52) ALDH1A1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL8050368 0.76 ALDH1A1 (0.52) ALDH1A1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL25060427 0.76 KDM4E (0.60) ALDH1A1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL29364998 0.76 KDM4E (0.57) ALDH1A1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL25713676 0.75 HDAC1 (0.47) ALDH1A1MEN1KMT2ARAB9ASMN1; SMN2

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-2023120077-A1 COMPOSITION, AND PHOTOSENSITIVE COMPOSITION 東京応化工業株式会社 2023-06-29 WO disclosed