SCHEMBL23344644

SCHEMBL23344644

CCCCCCCCCNC(=O)/C=C/c1ccc(OCCCCCC)cc1O

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 1/20 0.55
▸ HDAC8 Q9BY41 2/20 0.54
▸ EGFR P00533 1/20 0.52
▸ PTGS2 P35354 2/20 0.50
▸ PTGS1 P23219 1/20 0.50
▸ HTR1A P08908 2/20 0.49
▸ HTR2C P28335 2/20 0.49
▸ HTR2A P28223 1/20 0.49
▸ SLC6A4 P31645 1/20 0.49
▸ HTR7 P34969 1/20 0.49
▸ HTR6 P50406 1/20 0.49
▸ ZDHHC2 Q9UIJ5 1/20 0.49
▸ CNR2 P34972 4/20 0.48
▸ CNR1 P21554 1/20 0.48
▸ PELI1 Q96FA3 2/20 0.48
▸ LY96 Q9Y6Y9 1/20 0.47

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
SCHEMBL17697531 0.91 HDAC8 (0.54) APPHDAC8EGFRPTGS2CNR2
SCHEMBL8756992 0.88 APP (0.62) APPEGFRHTR1AHTR2CHTR2A
SCHEMBL8756981 0.88 APP (0.62) APPEGFRHTR1AHTR2CHTR2A
SCHEMBL8756987 0.88 APP (0.62) APPEGFRHTR1AHTR2CHTR2A
SCHEMBL17695122 0.84 HDAC8 (0.56) HDAC8PELI1
SCHEMBL9208000 0.80 MAPT (0.54) APPHDAC8
SCHEMBL19358956 0.80 APP (0.65) APPEGFRPTGS2PTGS1HTR1A
SCHEMBL19369308 0.80 APP (0.65) APPEGFRPTGS2PTGS1HTR1A
SCHEMBL19358993 0.79 APP (0.64) APPEGFRHTR1AHTR2CHTR2A
SCHEMBL19369311 0.79 APP (0.64) APPEGFRHTR1AHTR2CHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3207374-B1 METHOD AND SYSTEM FOR DETERMINING THE CONCENTRATION OF AN ANALYTE IN A FLUID SAMPLE LABCYTE INC (US) 2021-05-12 — — EP disclosed
Send feedback