SCHEMBL30457312

SCHEMBL30457312

C=CC(=O)OCCCCCCOc1ccc2cc(C#Cc3ccc(C(=O)Oc4ccc(OC(=O)c5ccc(C#Cc6ccc7cc(OCCCCCCOC(=O)C=C)ccc7c6)cc5)c(C(=O)OC)c4)cc3)ccc2c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
PTPN2 P17706 1/20 0.36
PTPN1 P18031 1/20 0.36
MAOB P27338 3/20 0.36
MAOA P21397 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA9 Q16790 1/20 0.36
KMT2A Q03164 1/20 0.36
LSS P48449 1/20 0.35
CYSLTR2 Q9NS75 1/20 0.35
CYSLTR1 Q9Y271 1/20 0.35
HTT P42858 1/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
HGFAC Q04756 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
SCHEMBL25225459 1.00 MAPT (0.38) MAPTPTPN2PTPN1MAOBMAOA
SCHEMBL25228516 0.95 MAPT (0.40) MAPTPTPN2PTPN1KMT2AHTT
SCHEMBL25277712 0.92 MAPT (0.40) MAPTPTPN2PTPN1KMT2A
SCHEMBL30457050 0.92 MAPT (0.40) MAPTPTPN2PTPN1KMT2A
SCHEMBL14301931 0.92 NPC1 (0.41) MAPTPTPN2PTPN1KMT2APOLB
SCHEMBL25274987 0.91 MAPT (0.37) MAPTPTPN2PTPN1KMT2AHTT
SCHEMBL31416098 0.91 MAPT (0.38) MAPTPTPN2PTPN1KMT2ACYSLTR1
SCHEMBL9906527 0.90 HGFAC (0.41) MAPTMAOBMAOAKMT2ALSS
SCHEMBL9906513 0.90 HGFAC (0.41) MAPTMAOBMAOAKMT2ALSS
SCHEMBL13785250 0.90 MAPT (0.44) MAPTKMT2AHTTKDM4EPOLB

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
EP-4444822-A1 LIQUID CRYSTAL COMPOUNDS Rolic Technologies AG (CH) 2024-10-16 EP disclosed
WO-2023104545-A1 LIQUID CRYSTAL COMPOUNDS Rolic Technologies AG (CH) 2023-06-15 WO disclosed