SCHEMBL8636845

SCHEMBL8636845

CCCCCCCOc1ccc(CCCCCCC)c(OCCCCCCC)c1CCCCCCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
HTT P42858 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 2/20 0.44
RAD52 P43351 2/20 0.44
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CNR1 P21554 5/20 0.42
CNR2 P34972 4/20 0.42
ESR1 P03372 2/20 0.42
TYR P14679 1/20 0.41
NPC1 O15118 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYSLTR2 Q9NS75 2/20 0.41
CYSLTR1 Q9Y271 2/20 0.41
KDM4E B2RXH2 1/20 0.41
APAF1 O14727 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL27957034 1.00 MEN1 (0.44) MEN1HTTKMT2AMAPTRAD52
SCHEMBL27956894 1.00 MEN1 (0.44) MEN1HTTKMT2AMAPTRAD52
SCHEMBL28734509 0.90 MAPT (0.40) MEN1HTTKMT2AMAPTRAD52
SCHEMBL16190999 0.79 CYP1A2 (0.37) MEN1HTTKMT2AMAPTMAPK1
SCHEMBL27732829 0.78 TYR (0.39) MAPTNPSR1CNR2TYRKDM4E
SCHEMBL11666706 0.78 CNR1 (0.53) MEN1HTTKMT2AMAPTMAPK1
SCHEMBL9008272 0.76 TYR (0.51) MEN1HTTKMT2AMAPTCNR1
SCHEMBL9008279 0.76 TYR (0.64) MEN1HTTKMT2AMAPTCNR1
SCHEMBL18364558 0.76 TYR (0.44) MEN1HTTKMT2AMAPTRAD52
SCHEMBL9751245 0.76 TSHR (0.39) MEN1HTTKMT2AMAPTRAD52

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
JP-10298160-A None JP disclosed
CN-103739464-B A kind of production method of four formylated Resorcinol cups [4] YANGZHOU UNIVERSITY (CN) 2016-04-20 CN disclosed
CN-103739464-A Method for producing tetra-formylated resorcinol calix [4] UNIV YANGZHOU 2014-04-23 CN disclosed
JP-H10298160-A RESORCINOL TETRAMER DERIVATIVE AND ELECTROPHOTOGRAPHIC TONER CONTAINING THE SAME NIPPON KAYAKU CO LTD 1998-11-10 JP disclosed