SCHEMBL28516376

SCHEMBL28516376

O=Cc1ccc(OCC(COc2ccc(C=O)cc2)(COc2ccc(C=O)cc2)COc2ccc(C=O)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
LMNA P02545 2/20 0.50
CYP2A6 P11509 1/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50
KDM4E B2RXH2 6/20 0.47
RAB9A P51151 1/20 0.46
ALDH1A3 P47895 1/20 0.45
KMT2A Q03164 2/20 0.44
STS P08842 1/20 0.44
MEN1 O00255 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
DRD1 P21728 1/20 0.41
PARP10 Q53GL7 1/20 0.40
PARP3 Q9Y6F1 1/20 0.40

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
SCHEMBL28394076 0.88 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2LMNACYP2A6MAPT
SCHEMBL16901826 0.83 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2LMNACYP2A6MAPT
SCHEMBL5357292 0.83 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2LMNACYP2A6MAPT
SCHEMBL245370 0.83 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2LMNACYP2A6MAPT
SCHEMBL18045687 0.83 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2LMNACYP2A6MAPT
SCHEMBL8546197 0.80 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2LMNACYP2A6MAPT
SCHEMBL244611 0.80 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2LMNACYP2A6MAPT
SCHEMBL3032947 0.80 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2LMNACYP2A6MAPT
SCHEMBL851166 0.79 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2LMNACYP2A6MAPT
SCHEMBL8754251 0.79 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2LMNACYP2A6MAPT

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
CN-108676137-B Aromatic polyimide thermosetting resin and preparation method thereof 华南理工大学 2020-12-22 CN disclosed