SCHEMBL5726539

SCHEMBL5726539

COc1cccc(C(CCOC2CCCCO2)C(=O)c2ccc(OCCN3CCCCC3)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
HRH3 Q9Y5N1 3/20 0.44
DRD2 P14416 3/20 0.43
DRD3 P35462 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MITF O75030 2/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 2/20 0.43
HIF1A Q16665 1/20 0.43
LTA4H P09960 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
NLRP1 Q9C000 1/20 0.42
SLC6A4 P31645 1/20 0.42
PSMB1 P20618 1/20 0.42
PSMB5 P28074 1/20 0.42
PSMB2 P49721 1/20 0.42

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
SCHEMBL5727044 0.86 MEN1 (0.46) KMT2AMEN1HRH3DRD2DRD3
SCHEMBL5738626 0.81 KMT2A (0.44) KMT2AMEN1HRH3DRD2ALDH1A1
SCHEMBL9860590 0.80 SMN1; SMN2 (0.52) KMT2AMEN1ALDH1A1MITFLMNA
SCHEMBL29592170 0.75 LTA4H (0.57) KMT2AHRH3DRD2DRD3ALDH1A1
SCHEMBL5725870 0.75 TBXAS1 (0.49) KMT2AMEN1LMNASMN1; SMN2LTA4H
SCHEMBL5726231 0.73 KMT2A (0.53) KMT2AMEN1ALDH1A1MITFLMNA
SCHEMBL5725637 0.73 MEN1 (0.50) KMT2AMEN1ALDH1A1MITFLMNA
SCHEMBL5725306 0.73 KMT2A (0.52) KMT2AMEN1ALDH1A1MITFLMNA
SCHEMBL9860310 0.73 MEN1 (0.53) KMT2AMEN1ALDH1A1MITFLMNA
SCHEMBL5726757 0.71 MEN1 (0.45) KMT2AMEN1HRH3KDM4ELTA4H

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-1705169-A2 Triphenylalkene derivatives and their use as selective estrogen receptor modulators Hormos Medical Ltd. (FI) 2006-09-27 EP disclosed
EP-1235776-B1 TRIPHENYLALKENE DERIVATIVES AND THEIR USE AS SELECTIVE ESTROGEN RECEPTOR MODULATORS HORMOS MEDICAL CORP (FI) 2006-02-08 EP disclosed
US-6875775-B2 Triphenylalkene derivatives and their use as selective estrogen receptor modulators HORMOS MEDICAL OY LTD (FI) 2005-04-05 US disclosed
US-6576645-B1 Such as 3-(4-chloro-1-(4-(2-(2-hydroxyethoxy)ethoxy)phenyl)--2-phenylbut-1 -enyl)phenol; producing tissue specific estro-genic and/or antiestrogenic effect HORMOS MEDICAL OY LTD (FI) 2003-06-10 US disclosed