SCHEMBL31520182

SCHEMBL31520182

C=C(C)C(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCCCCCCOC(=O)C(=C)C)cc3)c(C)c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.61
HTT P42858 2/20 0.61
APEX1 P27695 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
NPC1 O15118 3/20 0.46
LMNA P02545 3/20 0.46
NFKB1 P19838 3/20 0.46
NFKB2 Q00653 3/20 0.46
RELA Q04206 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
GAA P10253 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPT P10636 5/20 0.43
KMT2A Q03164 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL12592442 1.00 POLB (0.61) POLBHTTAPEX1TDP1NPC1
SCHEMBL19799417 1.00 POLB (0.61) POLBHTTAPEX1TDP1NPC1
SCHEMBL19978522 0.99 POLB (0.59) POLBHTTAPEX1TDP1NPC1
SCHEMBL803172 0.97 TDP1 (0.56) POLBHTTAPEX1TDP1NPC1
SCHEMBL14275380 0.96 TDP1 (0.56) POLBHTTAPEX1TDP1NPC1
SCHEMBL16133503 0.95 POLB (0.56) POLBHTTAPEX1TDP1NPC1
SCHEMBL17070343 0.94 TDP1 (0.53) POLBHTTAPEX1TDP1NPC1
SCHEMBL9108184 0.93 TDP1 (0.51) POLBHTTAPEX1TDP1NPC1
SCHEMBL815681 0.93 POLB (0.54) POLBHTTAPEX1TDP1NPC1
SCHEMBL815901 0.93 HTT (0.54) POLBHTTAPEX1TDP1NPC1

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
CN-119920967-A Liquid crystal-based polymer solid electrolyte composition, liquid crystal-based polymer solid electrolyte, preparation method of liquid crystal-based polymer solid electrolyte and lithium metal battery 中国石油化工股份有限公司 2025-05-02 CN claimed
CN-119920967-A Liquid crystal-based polymer solid electrolyte composition, liquid crystal-based polymer solid electrolyte, preparation method of liquid crystal-based polymer solid electrolyte and lithium metal battery 中国石油化工股份有限公司 2025-05-02 CN disclosed