SCHEMBL21612682

SCHEMBL21612682

CCC1OC(=O)c2ccccc2C(=O)O1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
ALOX15 P16050 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
TRPA1 O75762 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
CDC25B P30305 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
SCHEMBL31217604 0.89 MEN1 (0.44) ALDH1A1TSHRMAPK1MEN1KMT2A
SCHEMBL11929053 0.84 ALDH1A1 (0.47) ALDH1A1TSHRMAPK1ALOX15TDP1
SCHEMBL9317821 0.80 ALDH1A1 (0.48) ALDH1A1TSHRMAPK1ALOX15TDP1
SCHEMBL3763119 0.80 CA2 (0.45) ALDH1A1TSHRMAPK1MEN1KMT2A
SCHEMBL27316823 0.78 MAOA (0.33) ALDH1A1TSHRMAPK1MEN1KMT2A
SCHEMBL13723001 0.78 MAOA (0.33) ALDH1A1TSHRMAPK1MEN1KMT2A
SCHEMBL3453667 0.74 ALDH1A1 (0.50) ALDH1A1TSHRMAPK1MEN1KMT2A
SCHEMBL14441334 0.74 ALDH1A1 (0.50) ALDH1A1TSHRMAPK1MEN1KMT2A
SCHEMBL9329781 0.73 POLB (0.52) ALDH1A1MAPK1POLBKDM4EHPGD
SCHEMBL9317703 0.73 AKT1 (0.46) ALDH1A1TSHRMAPK1ALOX15TDP1

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-2020008510-A1 WRAPPING PAPER FOR NON-COMBUSTIBLE HEATED TYPE SMOKING ARTICLE, NON-COMBUSTIBLE HEATED TYPE SMOKING ARTICLE, AND ELECTRICALLY-HEATED SMOKING SYSTEM 日本たばこ産業株式会社 2020-01-09 WO disclosed