SCHEMBL17029461

SCHEMBL17029461

CCNCCOCCOCCOCCO

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
TSHR P16473 4/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 2/20 0.46
THRB P10828 1/20 0.46
MAPT P10636 1/20 0.46
ALDH1A1 P00352 2/20 0.46
CYP2C19 P33261 2/20 0.36
GLA P06280 1/20 0.36
CYP1A2 P05177 1/20 0.35
KDM4E B2RXH2 2/20 0.34
ADRB2 P07550 1/20 0.34
RECQL P46063 1/20 0.34
SAT1 P21673 1/20 0.33
TP53 P04637 1/20 0.32

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
SCHEMBL15264130 1.00 MEN1 (0.52) MEN1KMT2ATSHRMAPK1HTT
SCHEMBL18364665 1.00 MEN1 (0.52) MEN1KMT2ATSHRMAPK1HTT
SCHEMBL29002323 0.98 MEN1 (0.50) MEN1KMT2ATSHRMAPK1HTT
SCHEMBL2231058 0.98
Dimethylamine SCHEMBL7124815 0.93 TSHR (0.46) MEN1KMT2ATSHRMAPK1HTT
SCHEMBL6130652 0.88 MEN1 (0.47) MEN1KMT2ATSHRMAPK1HTT
SCHEMBL3797316 0.87 CYP2C19 (0.45) MEN1KMT2ATSHRHTTCYP2C19
Di(Hydroxyethyl)Ether SCHEMBL7553011 0.85 TSHR (0.59) MEN1KMT2ATSHRMAPK1HTT
SCHEMBL15965457 0.85 MEN1 (0.65) MEN1KMT2ATSHRMAPK1HTT
SCHEMBL7077220 0.85 MEN1 (0.65) MEN1KMT2ATSHRMAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116759632-A Crown ether lithium salt compound and perovskite lithium battery thereof 美能能源技术(苏州)有限公司 2023-09-15 CN claimed
CN-116759632-A Crown ether lithium salt compound and perovskite lithium battery thereof 美能能源技术(苏州)有限公司 2023-09-15 CN disclosed
EP-2910573-A1 ANTIBODY-DRUG CONJUGATE PRODUCED BY BINDING THROUGH LINKER HAVING HYDROPHILIC STRUCTURE DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-08-26 EP disclosed