SCHEMBL4660337

SCHEMBL4660337

COc1ccccc1C(=O)Oc1ccc(CO)cc1CCCc1cccc(N(C(C)C)C(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 3/20 0.40
HTR2A P28223 1/20 0.39
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
HPGD P15428 1/20 0.38
XBP1 P17861 1/20 0.38

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
SCHEMBL4660298 0.92 PTGS2 (0.44) LPAR1HTR2AESR1HPGD
SCHEMBL4660393 0.90 MEN1 (0.36) LPAR1HTR2AESR1ESR2HPGD
SCHEMBL4660377 0.88 POLB (0.39) HPGD
SCHEMBL4659041 0.87 CHRM2 (0.39) HTR2AXBP1
SCHEMBL4659026 0.86 L3MBTL1 (0.40)
SCHEMBL1158253 0.85 CHRM2 (0.45) HTR2A
SCHEMBL4660361 0.85 KMT2A (0.39) LPAR1ESR1ESR2
SCHEMBL4660356 0.85 ESR1 (0.35) ESR1ESR2
Hydrochloric Acid SCHEMBL16166428 0.84 CHRM2 (0.45) HTR2A
SCHEMBL11297469 0.83 CHRM2 (0.35) HTR2A

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