SCHEMBL21119006

SCHEMBL21119006

O=C1N(CC2CO2)C(=O)N(CC2CO2)C(=O)N(CC2CO2)C(=O)N1CC1CO1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.64
HBB P68871 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
DHFR P00374 1/20 0.44
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPT P10636 2/20 0.35
ALDH1A1 P00352 5/20 0.35
TDP1 Q9NUW8 1/20 0.35
F2 P00734 1/20 0.35
ELANE P08246 1/20 0.35
CTSG P08311 1/20 0.35
CTRC Q99895 1/20 0.35
KMT2A Q03164 2/20 0.34
POLB P06746 1/20 0.34
MEN1 O00255 1/20 0.34
RECQL P46063 1/20 0.34
OPRM1 P35372 1/20 0.33
OPRK1 P41145 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
SCHEMBL21119007 1.00 TP53 (0.64) TP53HBBSMN1; SMN2DHFRCYP1A2
SCHEMBL6454276 0.93 TP53 (0.56) TP53HBBSMN1; SMN2DHFRCYP1A2
SCHEMBL13867767 0.89 TP53 (0.52) TP53HBBSMN1; SMN2DHFRCYP1A2
SCHEMBL1715366 0.89 TP53 (0.52) TP53HBBSMN1; SMN2DHFRCYP1A2
SCHEMBL11087869 0.85 TP53 (0.48) TP53HBBSMN1; SMN2DHFRCYP1A2
SCHEMBL11076073 0.85 TP53 (0.48) TP53HBBSMN1; SMN2DHFRCYP1A2
SCHEMBL11079414 0.85 TP53 (0.48) TP53HBBSMN1; SMN2DHFRCYP1A2
SCHEMBL13960544 0.84 TP53 (0.52) TP53HBBSMN1; SMN2DHFRCYP1A2
SCHEMBL24630103 0.83 TP53 (0.47) TP53HBBSMN1; SMN2DHFR
SCHEMBL11089324 0.83 TP53 (0.47) TP53HBBSMN1; SMN2DHFRF2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022150849-A1 FLAME-RESISTANT QUASI-SOLID AND SOLID-STATE ELECTROLYTE FOR LITHIUM-ION AND LITHIUM METAL BATTERIES AND PRODUCTION METHOD GLOBAL GRAPHENE GROUP, INC. (US) 2022-07-14 WO disclosed
US-20190207255-A1 ELECTROLYTE, COMPOSITION FOR ELECTROLYTE AND LITHIUM BATTERY EMPLOYING THE SAME INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2019-07-04 US disclosed