SCHEMBL28850990

SCHEMBL28850990

CC(O)C(=O)c1ccc(C(=O)C(C)(C)O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MLYCD O95822 6/20 0.37
▸ CA2 P00918 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ CES2 O00748 1/20 0.34
▸ CES1 P23141 1/20 0.34
▸ TRPA1 O75762 2/20 0.34
▸ CHRNA1 P02708 3/20 0.33
▸ CHRNG P07510 3/20 0.33
▸ CHRNB1 P11230 3/20 0.33
▸ CHRNB2 P17787 3/20 0.33
▸ SLC6A2 P23975 3/20 0.33
▸ CHRNB4 P30926 3/20 0.33
▸ CHRNA3 P32297 3/20 0.33
▸ CHRNA4 P43681 3/20 0.33
▸ SLC6A3 Q01959 3/20 0.33
▸ CHRND Q07001 3/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ DBH P09172 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
SCHEMBL29234971 0.91 LMNA (0.44) MLYCDALDH1A1TSHRHSD17B10CES2
SCHEMBL26799823 0.90 KMT2A (0.43) MLYCDALDH1A1
SCHEMBL12101430 0.90 CYP4F2 (0.37) MLYCDALDH1A1HSD17B10
SCHEMBL11298330 0.82 CA2 (0.46) MLYCDCA2ALDH1A1TSHRCES2
SCHEMBL21456599 0.82 KDM4E (0.43) CA2ALDH1A1TSHRCES2CES1
SCHEMBL29446112 0.81 KDM4E (0.43) MLYCDCA2ALDH1A1KDM4EDBH
SCHEMBL537689 0.80 PTPN5 (0.38) MLYCDCA2ALDH1A1TSHRHSD17B10
SCHEMBL3671849 0.78 CA2 (0.37) MLYCDCA2ALDH1A1TSHRHSD17B10
SCHEMBL54909 0.78 CYP2C9 (0.50) ALDH1A1KDM4E
SCHEMBL4197514 0.78 ESR1 (0.43) MLYCDCA2ALDH1A1TSHRHSD17B10

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-115141559-A Adhesive sheet and laminate 琳得科株式会社 2022-10-04 — — CN disclosed
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