SCHEMBL9104213

SCHEMBL9104213

CCCCCCCCCCCCCCCCNc1cccc(C=O)c1NCCCCCCCCCCCCCCCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.43
CNR2 P34972 4/20 0.39
CNR1 P21554 1/20 0.39
EPHX1 P07099 1/20 0.39
ADH1B P00325 1/20 0.39
ADH1C P00326 1/20 0.39
ADH1A P07327 1/20 0.39
ADH4 P08319 1/20 0.39
ADH7 P40394 1/20 0.39
CHRM2 P08172 1/20 0.39
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NAAA Q02083 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
SLC2A1 P11166 1/20 0.36
EPHX2 P34913 1/20 0.36
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL28035949 0.87 L3MBTL1 (0.48) L3MBTL1CNR2CNR1EPHX1ADH1B
SCHEMBL29002912 0.86 ESR1 (0.39) EPHX1ADH1BADH1CADH1AADH4
SCHEMBL7285847 0.85 L3MBTL1 (0.46) L3MBTL1CNR2CNR1EPHX1ADH1B
SCHEMBL13464216 0.84 L3MBTL1 (0.43) L3MBTL1CNR2CNR1CHRM2SMN1; SMN2
SCHEMBL11135272 0.83 ERN1 (0.43) L3MBTL1CNR2CNR1NAAA
SCHEMBL28254715 0.83 KMT2A (0.43) CNR2EPHX1MAPK1HTTSMN1; SMN2
SCHEMBL3267706 0.83 L3MBTL1 (0.44) L3MBTL1CNR2CNR1EPHX1CHRM2
SCHEMBL4947158 0.80 CYP2C9 (0.44) L3MBTL1CNR2CHRM2HTTSMN1; SMN2
SCHEMBL1955081 0.78 NAAA (0.45) L3MBTL1CNR2CNR1HTTNAAA
SCHEMBL1954997 0.78 NAAA (0.45) L3MBTL1CNR2CNR1HTTNAAA

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
US-5517350-A Optical component based on Langmuir-Blodgett layers HOECHST AKTIENGESELLSCHAFT (DE) 1996-05-14 US disclosed
EP-0596325-A1 Optical element with Langmuir-Blodgett layers HOECHST AKTIENGESELLSCHAFT (DE) 1994-05-11 EP disclosed