SCHEMBL17064993

SCHEMBL17064993

CCCCCCCN1CCCCC1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 6/20 0.50
ALDH1A1 P00352 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
S1PR1 P21453 2/20 0.47
S1PR3 Q99500 2/20 0.47
S1PR5 Q9H228 2/20 0.47
MAOB P27338 2/20 0.46
HRH3 Q9Y5N1 2/20 0.46
S1PR4 O95977 1/20 0.45
MEN1 O00255 1/20 0.45
POLB P06746 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 1/20 0.45
SCN1A P35498 1/20 0.43
SCN2A Q99250 1/20 0.43
SCN3A Q9NY46 1/20 0.43
MAOA P21397 1/20 0.43

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
SCHEMBL14079463 1.00 CXCR4 (0.50) CXCR4ALDH1A1L3MBTL1S1PR1S1PR3
SCHEMBL2969494 1.00 CXCR4 (0.50) CXCR4ALDH1A1L3MBTL1S1PR1S1PR3
SCHEMBL19126196 1.00 CXCR4 (0.50) CXCR4ALDH1A1L3MBTL1S1PR1S1PR3
SCHEMBL28191065 1.00 CXCR4 (0.50) CXCR4ALDH1A1L3MBTL1S1PR1S1PR3
SCHEMBL38666225 1.00 CXCR4 (0.50) CXCR4ALDH1A1L3MBTL1S1PR1S1PR3
SCHEMBL38666622 1.00 CXCR4 (0.50) CXCR4ALDH1A1L3MBTL1S1PR1S1PR3
Water SCHEMBL23198430 0.98 CXCR4 (0.49) CXCR4ALDH1A1L3MBTL1S1PR1S1PR3
SCHEMBL15363110 0.98 CXCR4 (0.49) CXCR4ALDH1A1L3MBTL1S1PR1S1PR3
Fluoride SCHEMBL30331126 0.98 CXCR4 (0.49) CXCR4ALDH1A1L3MBTL1S1PR1S1PR3
Hydrochloric Acid SCHEMBL30330428 0.98 CXCR4 (0.51) CXCR4ALDH1A1L3MBTL1S1PR1S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115917821-A Solid electrolyte, electrode, electricity storage element, and method for producing solid electrolyte 松下知识产权经营株式会社 2023-04-04 CN disclosed
CN-105339816-B polarizing film with adhesive layer, laminate, and image display device 日东电工株式会社 2019-02-05 CN disclosed
CN-108977131-A Adhesive composition, surface protective plate and optical component 日东电工株式会社 2018-12-11 CN disclosed
WO-2015134790-A1 SMALL MOLECULE FATTY ACID SYNTHASE INHIBITORS SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2015-09-11 WO disclosed