SCHEMBL7575669

SCHEMBL7575669

CC(O)C(C(=O)C(c1ccccc1)C(C)O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.56
KMT2A Q03164 1/20 0.52
LMNA P02545 5/20 0.48
MAPK1 P28482 1/20 0.48
KDM4E B2RXH2 2/20 0.45
ADRA2A P08913 1/20 0.45
ADRA2C P18825 1/20 0.45
HIF1A Q16665 1/20 0.45
SRC P12931 1/20 0.44
HPGD P15428 1/20 0.44
ALDH1A1 P00352 3/20 0.43
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALOX5 P09917 1/20 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
SCHEMBL11822535 0.86 CYP2D6 (0.70) CYP2D6KMT2ALMNAMAPK1KDM4E
SCHEMBL20511263 0.86 CYP2D6 (0.70) CYP2D6KMT2ALMNAMAPK1KDM4E
SCHEMBL20511261 0.86 CYP2D6 (0.70) CYP2D6KMT2ALMNAMAPK1KDM4E
SCHEMBL20511280 0.86 CYP2D6 (0.70) CYP2D6KMT2ALMNAMAPK1KDM4E
SCHEMBL21005024 0.86 CYP2D6 (0.70) CYP2D6KMT2ALMNAMAPK1KDM4E
SCHEMBL23903947 0.86 CYP2D6 (0.70) CYP2D6KMT2ALMNAMAPK1KDM4E
SCHEMBL16871193 0.84 CYP2D6 (0.54) CYP2D6KMT2ALMNAMAPK1KDM4E
SCHEMBL25511906 0.84 CYP2D6 (0.54) CYP2D6KMT2ALMNAMAPK1KDM4E
SCHEMBL25511907 0.84 CYP2D6 (0.54) CYP2D6KMT2ALMNAMAPK1KDM4E
SCHEMBL28285858 0.84 CYP2D6 (0.58) CYP2D6KMT2ALMNAMAPK1SRC

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105338815-B Wipes with guanidino-containing polymers 3M创新有限公司 2020-07-14 CN disclosed
WO-2002094328-A2 DOUBLE-SIDED COATED FIBROUS WEB ABSORBENT ARTICLE BASF AKTIENGESELLSCHAFT (DE) 2002-11-28 WO disclosed