SCHEMBL29908291

SCHEMBL29908291

CCCC[n+]1ccc(C)cc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 7/20 0.47
NPC1 O15118 7/20 0.41
RAB9A P51151 6/20 0.41
SMN1; SMN2 Q16637 6/20 0.41
POLB P06746 1/20 0.41
KDM4E B2RXH2 7/20 0.39
MEN1 O00255 6/20 0.35
KMT2A Q03164 6/20 0.35
MAPT P10636 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C19 P33261 2/20 0.35
TP53 P04637 1/20 0.35
CYP2C9 P11712 1/20 0.35
NPSR1 Q6W5P4 4/20 0.35
LMNA P02545 3/20 0.35
MAPK1 P28482 3/20 0.35
RAD52 P43351 3/20 0.35
RGS12 O14924 1/20 0.35
USP2 O75604 1/20 0.35

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
SCHEMBL1224857 1.00 HTT (0.47) HTTNPC1RAB9ASMN1; SMN2POLB
Hydrochloric Acid SCHEMBL9326061 0.98 HTT (0.46) HTTNPC1RAB9ASMN1; SMN2POLB
Bromide SCHEMBL3277334 0.91 HTT (0.56) HTTNPC1RAB9ASMN1; SMN2POLB
SCHEMBL8015063 0.90 NPC1 (0.45) HTTNPC1RAB9ASMN1; SMN2POLB
SCHEMBL2867113 0.88 HTT (0.41) HTTNPC1RAB9ASMN1; SMN2POLB
Bromide SCHEMBL7251134 0.88 NPC1 (0.48) HTTNPC1RAB9ASMN1; SMN2POLB
SCHEMBL13334116 0.85 HTT (0.43) HTTNPC1RAB9ASMN1; SMN2POLB
Bromide SCHEMBL3307928 0.84 HTT (0.42) HTTNPC1RAB9ASMN1; SMN2POLB
SCHEMBL13334071 0.84 HTT (0.45) HTTNPC1RAB9ASMN1; SMN2POLB
Iodide SCHEMBL3313514 0.82 HTT (0.44) HTTNPC1RAB9ASMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117897833-A Binder for electrode, and power storage device 株式会社大阪曹達 2024-04-16 CN disclosed
CN-117769537-A Ionic liquid and method for producing the same 日清纺控股株式会社 2024-03-26 CN disclosed
CN-117638075-A Binder for electrode, and electricity storage device 株式会社大阪曹達 2024-03-01 CN disclosed
CN-111566858-B Binder for electrode, and electricity storage device 株式会社大阪曹達 2023-11-21 CN disclosed
CN-116868435-A Negative electrode protective film 株式会社大阪曹達 2023-10-10 CN disclosed
CN-110819445-B Method for removing polycyclic aromatic hydrocarbon from grease 丰益(上海)生物技术研发中心有限公司 2023-05-02 CN disclosed
WO-2023053863-A1 BINDER FOR ELECTRODE, ELECTRODE, AND POWER STORAGE DEVICE 株式会社大阪ソーダ 2023-04-06 WO disclosed
WO-2023021895-A1 IONIC LIQUID AND METHOD FOR PRODUCING THE SAME 日清紡ホールディングス株式会社 2023-02-23 WO disclosed
CN-110139881-B Binder for electrode 株式会社大阪曹達 2022-09-09 CN disclosed