SCHEMBL4660336

SCHEMBL4660336

CCC(c1cccc(N(C(C)C)C(C)C)c1)c1cc(CO)ccc1OC(=O)c1ccccc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
HPGD P15428 2/20 0.40
XBP1 P17861 1/20 0.40
GAA P10253 2/20 0.39
THRB P10828 1/20 0.39
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
KCNA3 P22001 1/20 0.38
KMT2A Q03164 3/20 0.38
NPSR1 Q6W5P4 2/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 2/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ALDH1A1 P00352 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
SCHEMBL4660292 0.94 CHRM2 (0.48) CHRM2CHRM1HPGDXBP1ESR1
SCHEMBL4660388 0.90 CHRM2 (0.48) CHRM2CHRM1ESR1ESR2KMT2A
SCHEMBL4660374 0.88 CHRM2 (0.46) CHRM2CHRM1HPGDGAAKMT2A
SCHEMBL4660409 0.88 CHRM2 (0.51) CHRM2CHRM1HPGDXBP1GAA
SCHEMBL4659036 0.88 CHRM2 (0.51) CHRM2CHRM1HPGDXBP1GAA
SCHEMBL4659023 0.86 CHRM2 (0.44) CHRM2CHRM1GAAKMT2AMEN1
SCHEMBL4660359 0.85 CHRM2 (0.45) CHRM2CHRM1HPGDGAATHRB
SCHEMBL4660350 0.85 CHRM2 (0.46) CHRM2CHRM1ESR1ESR2KMT2A
SCHEMBL1158251 0.84 CHRM2 (0.62) CHRM2CHRM1XBP1KMT2APOLB
SCHEMBL4659057 0.84 CHRM2 (0.62) CHRM2CHRM1XBP1KMT2APOLB

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
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
EP-1077912-A1 NOVEL DERIVATIVES OF 3,3-DIPHENYLPROPYLAMINES SCHWARZ PHARMA AG (DE) 2001-02-28 EP disclosed
WO-1999058478-A1 NOVEL DERIVATIVES OF 3,3-DIPHENYLPROPYLAMINES SCHWARZ PHARMA AG (DE) 1999-11-18 WO disclosed