SCHEMBL28924902

SCHEMBL28924902

Cc1c(Cc2ccccc2)cccc1C(=O)C(O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.41
TSHR P16473 2/20 0.41
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
NFKB1 P19838 1/20 0.40
CYP2C19 P33261 1/20 0.40
BLM P54132 1/20 0.40
PMP22 Q01453 1/20 0.40
HIF1A Q16665 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPK1 P28482 1/20 0.40
PTPN1 P18031 3/20 0.39

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
SCHEMBL4016018 0.86 LMNA (0.50) LMNACES2CES1L3MBTL1TSHR
SCHEMBL28633179 0.84 LMNA (0.42) LMNACES2CES1L3MBTL1TSHR
Methoxymethane SCHEMBL2190404 0.84 ALDH1A1 (0.46) LMNACES2CES1L3MBTL1TSHR
SCHEMBL28639956 0.83 LMNA (0.44) LMNACES2CES1L3MBTL1ALDH1A1
SCHEMBL1487887 0.82 LMNA (0.52) LMNACES2CES1L3MBTL1TSHR
SCHEMBL20957613 0.80 TSHR (0.48) LMNACES2CES1L3MBTL1TSHR
SCHEMBL29225318 0.80 TSHR (0.57) LMNATSHRALDH1A1CYP1A2CYP3A4
SCHEMBL312996 0.79 TSHR (0.43) LMNACES2CES1L3MBTL1TSHR
SCHEMBL2532195 0.79 KDM4E (0.41) LMNACES2CES1L3MBTL1TSHR
Methoxymethane SCHEMBL28820448 0.78 LMNA (0.47) LMNACES2CES1L3MBTL1TSHR

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-108699212-B Dual cure soft touch coating 阿科玛法国公司 2021-10-15 CN disclosed