SCHEMBL4660409

SCHEMBL4660409

CC[C@H](c1cccc(N(C(C)C)C(C)C)c1)c1cc(CO)ccc1OC(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.51
CHRM1 P11229 1/20 0.51
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
CYP3A4 P08684 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
NPC1 O15118 2/20 0.34
MAPT P10636 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 2/20 0.34
POLB P06746 2/20 0.34
TP53 P04637 1/20 0.34
XBP1 P17861 1/20 0.34
HTT P42858 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MITF O75030 1/20 0.34

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
SCHEMBL4659036 1.00 CHRM2 (0.51) CHRM2CHRM1KMT2AMEN1CYP3A4
SCHEMBL4660350 0.93 CHRM2 (0.46) CHRM2CHRM1KMT2AMEN1CYP4F2
SCHEMBL4659037 0.92 CHRM2 (0.46) CHRM2CHRM1KMT2AL3MBTL1CYP4F2
SCHEMBL4660359 0.91 CHRM2 (0.45) CHRM2CHRM1KMT2AMEN1L3MBTL1
SCHEMBL4661597 0.91 CHRM2 (0.46) CHRM2CHRM1KMT2AMEN1NPC1
SCHEMBL4659055 0.89 CHRM2 (0.43) CHRM2CHRM1KMT2AMEN1TDP1
SCHEMBL1158251 0.89 CHRM2 (0.62) CHRM2CHRM1KMT2ACYP4F2CYP4A11
SCHEMBL4659057 0.89 CHRM2 (0.62) CHRM2CHRM1KMT2ACYP4F2CYP4A11
SCHEMBL4660292 0.88 CHRM2 (0.48) CHRM2CHRM1KMT2AMEN1TDP1
SCHEMBL4660388 0.88 CHRM2 (0.48) CHRM2CHRM1KMT2AMEN1CYP3A4

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