SCHEMBL24845046

SCHEMBL24845046

O=Cc1ccc(OCC(=O)O[C@H]2COC3C2OC[C@H]3OC(=O)COc2ccc(C=O)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.48
▸ KDM4E B2RXH2 2/20 0.44
▸ KMT2A Q03164 1/20 0.41
▸ BCHE P06276 2/20 0.40
▸ PTGS2 P35354 1/20 0.39
▸ P2RY14 Q15391 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL24845048 0.80 KDM4E (0.45) ALDH1A1KDM4ERAB9AMAPT
SCHEMBL8312155 0.79 ALDH1A1 (0.59) ALDH1A1KDM4EKMT2AMAPTSMN1; SMN2
SCHEMBL24845047 0.75 KDM4E (0.43) ALDH1A1KDM4EKMT2ARAB9AMAPT
SCHEMBL24845101 0.75 KDM4E (0.43) ALDH1A1KDM4EKMT2ARAB9AMAPT
SCHEMBL24844990 0.75 KDM4E (0.43) ALDH1A1KDM4EKMT2ARAB9AMAPT
SCHEMBL19821133 0.74 BCHE (0.52) ALDH1A1KMT2ABCHERAB9AMAPT
SCHEMBL16295220 0.73 BCHE (0.47) BCHESMN1; SMN2
SCHEMBL1950164 0.72 PTGS2 (0.67) ALDH1A1KDM4EKMT2APTGS2MAPT
SCHEMBL16229589 0.71 BCHE (0.49) ALDH1A1BCHEMAPT
SCHEMBL1948207 0.71 GAA (0.64) ALDH1A1KDM4ERAB9AMAPTSMN1; 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
US-20230002679-A1 COMPOUND AND LIQUID CRYSTAL COMPOSITION FUJIFILM CORPORATION (JP) 2023-01-05 — — US disclosed
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