SCHEMBL23106949

SCHEMBL23106949

O=C1OCOCC2C3C=CC(C3)C12

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
TDP1 Q9NUW8 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
HTT P42858 2/20 0.39
LMNA P02545 1/20 0.39
KDM4E B2RXH2 2/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 2/20 0.36
RECQL P46063 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
USP2 O75604 2/20 0.33
HSD17B10 Q99714 1/20 0.33
POLB P06746 1/20 0.33
MAPK1 P28482 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
SCHEMBL19944700 0.86 ALDH1A1 (0.38) ALDH1A1TDP1KMT2ARECQLL3MBTL1
SCHEMBL1218407 0.85 ALDH1A1 (0.41) ALDH1A1TDP1SMN1; SMN2HTTLMNA
SCHEMBL10485411 0.85 ALDH1A1 (0.41) ALDH1A1TDP1SMN1; SMN2HTTLMNA
SCHEMBL7360243 0.85 ALDH1A1 (0.41) ALDH1A1TDP1SMN1; SMN2HTTLMNA
SCHEMBL1217695 0.74 ALDH1A1 (0.38) ALDH1A1TDP1SMN1; SMN2HTTLMNA
SCHEMBL7663419 0.69 POLB (0.35) ALDH1A1TDP1KMT2ARECQLL3MBTL1
SCHEMBL3781306 0.69 POLB (0.35) ALDH1A1TDP1KMT2ARECQLL3MBTL1
SCHEMBL22666980 0.67 ALDH1A1 (0.38) ALDH1A1TDP1SMN1; SMN2HTTLMNA
SCHEMBL11721786 0.67 ALDH1A1 (0.38) ALDH1A1TDP1SMN1; SMN2HTTLMNA
SCHEMBL14566116 0.67 ALDH1A1 (0.34) ALDH1A1TDP1SMN1; SMN2HTTLMNA

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-2021049255-A1 LIQUID CRYSTAL ORIENTATION AGENT, LIQUID CRYSTAL ORIENTATION FILM, AND LIQUID CRYSTAL ELEMENT JSR株式会社 2021-03-18 WO disclosed