SCHEMBL4661597

SCHEMBL4661597

CCC(c1cccc(N(C(C)C)C(C)C)c1)c1cc(CO)ccc1OC(=O)c1ccc2ccccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.46
CHRM1 P11229 1/20 0.46
ACHE P22303 1/20 0.37
UTS2R Q9UKP6 1/20 0.36
CES2 O00748 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPK14 Q16539 4/20 0.35
GPR55 Q9Y2T6 2/20 0.35
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34
TSHR P16473 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HTR2C P28335 1/20 0.33
MME P08473 1/20 0.33

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
SCHEMBL4660409 0.91 CHRM2 (0.51) CHRM2CHRM1MEN1KMT2ANPC1
SCHEMBL4659036 0.91 CHRM2 (0.51) CHRM2CHRM1MEN1KMT2ANPC1
SCHEMBL4660359 0.88 CHRM2 (0.45) CHRM2CHRM1ACHEMEN1KMT2A
SCHEMBL4660350 0.88 CHRM2 (0.46) CHRM2CHRM1MEN1KMT2ANPC1
SCHEMBL4659037 0.87 CHRM2 (0.46) CHRM2CHRM1UTS2RKMT2AADRB1
SCHEMBL4660374 0.85 CHRM2 (0.46) CHRM2CHRM1UTS2RMEN1KMT2A
SCHEMBL4659055 0.84 CHRM2 (0.43) CHRM2CHRM1ACHEMEN1KMT2A
SCHEMBL4659057 0.84 CHRM2 (0.62) CHRM2CHRM1ACHEKMT2AADRB2
SCHEMBL1158251 0.84 CHRM2 (0.62) CHRM2CHRM1ACHEKMT2AADRB2
SCHEMBL4660292 0.83 CHRM2 (0.48) CHRM2CHRM1MEN1KMT2ATSHR

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-2004592-A1 SYNTHESIS OF PHENOLIC ESTERS OF HYDROXYMETHYL PHENOLS Schwarz Pharma Ltd. (IE) 2008-12-24 EP disclosed
WO-2007140986-A1 SYNTHESIS OF PHENOLIC ESTERS OF HYDROXYMETHYL PHENOLS SCHWARZ PHARMA LTD (IE) 2007-12-13 WO disclosed