SCHEMBL6234524

SCHEMBL6234524

CCS(=O)(=O)OC(=O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.53
TSHR P16473 4/20 0.52
F2 P00734 1/20 0.50
TDP1 Q9NUW8 4/20 0.47
SLC6A3 Q01959 2/20 0.46
MAPK1 P28482 1/20 0.46
HIF1A Q16665 1/20 0.46
SLC6A2 P23975 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 2/20 0.44
HSD17B10 Q99714 1/20 0.44
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
GAA P10253 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
SCHEMBL28475515 0.90 HPGD (0.47) LMNATSHRTDP1MAPK1SLC6A2
SCHEMBL28310222 0.87 LMNA (0.53) LMNATSHRF2TDP1SLC6A3
SCHEMBL27933651 0.82 TSHR (0.46) LMNATSHRF2TDP1SLC6A3
SCHEMBL17417729 0.81 KMT2A (0.52) LMNATSHRF2TDP1SLC6A3
SCHEMBL28103434 0.81 HSD17B10 (0.48) LMNATSHRTDP1KMT2AHSD17B10
SCHEMBL4750334 0.81 RECQL (0.47) LMNATSHRF2TDP1SLC6A3
SCHEMBL9405232 0.79 LMNA (0.49) LMNATSHRF2TDP1SLC6A3
SCHEMBL1020413 0.79 TSHR (0.56) LMNATSHRF2TDP1SLC6A3
SCHEMBL27825020 0.79 TSHR (0.43) LMNATSHRF2TDP1SLC6A3
SCHEMBL28257561 0.79 ALDH1A1 (0.60) LMNATSHRTDP1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115124819-A Cationic dyeable polyester composition and preparation method thereof 东丽纤维研究所(中国)有限公司 2022-09-30 CN disclosed
CN-109476616-A Piperazinyl methanone NAAA inhibitor 加利福尼亚大学董事会 2019-03-15 CN disclosed
CN-104211620-B The autofrettage of bi-quaternary ammonium salt and its intermediate Wako-chem Industries Co., Ltd. (JP) 2016-05-25 CN disclosed
CN-104211620-A PROCESS FOR PRODUCTION OF BIS-QUATERNARY AMMONIUM SALT, AND NOVEL INTERMEDIATE WAKO PURE CHEM IND LTD 2014-12-17 CN disclosed
CN-102482197-A Process for producing diquaternary ammonium salt and novel intermediate WAKO PURE CHEM IND LTD 2012-05-30 CN disclosed
WO-2005007183-A2 TREATMENT OF ANEMIA THROMB-X NV (BE) 2005-01-27 WO disclosed