SCHEMBL4660388

SCHEMBL4660388

CCC(c1cccc(N(C(C)C)C(C)C)c1)c1cc(CO)ccc1OC(=O)c1ccccc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.48
CHRM1 P11229 1/20 0.48
HTT P42858 1/20 0.38
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
MAPT P10636 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
CYP2C9 P11712 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
PTGS2 P35354 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 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
SCHEMBL4660292 0.91 CHRM2 (0.48) CHRM2CHRM1HTTMEN1KMT2A
SCHEMBL4660336 0.90 CHRM2 (0.47) CHRM2CHRM1MEN1KMT2AESR1
SCHEMBL4660374 0.89 CHRM2 (0.46) CHRM2CHRM1HTTMEN1KMT2A
SCHEMBL4660409 0.88 CHRM2 (0.51) CHRM2CHRM1HTTMEN1KMT2A
SCHEMBL4659036 0.88 CHRM2 (0.51) CHRM2CHRM1HTTMEN1KMT2A
SCHEMBL4659023 0.87 CHRM2 (0.44) CHRM2CHRM1HTTMEN1KMT2A
SCHEMBL4660350 0.86 CHRM2 (0.46) CHRM2CHRM1MEN1KMT2AESR1
SCHEMBL4659057 0.85 CHRM2 (0.62) CHRM2CHRM1HTTKMT2AMAPT
SCHEMBL1158251 0.85 CHRM2 (0.62) CHRM2CHRM1HTTKMT2AMAPT
Hydrochloric Acid SCHEMBL16166361 0.84 CHRM2 (0.61) CHRM2CHRM1KMT2ACTSAADRB2

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