SCHEMBL6935863

SCHEMBL6935863

COC(=O)Cc1ccccc1Oc1ccc(C)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.55
HTR2A P28223 3/20 0.55
MAPT P10636 1/20 0.49
HTT P42858 1/20 0.49
NPC1 O15118 1/20 0.48
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 1/20 0.43
EPHX2 P34913 1/20 0.43
CXCL8 P10145 1/20 0.43
TSHR P16473 1/20 0.43
ALDH1A1 P00352 1/20 0.42
MAPK14 Q16539 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
SCHEMBL7254516 0.89 SLC6A4 (0.56) SLC6A4HTR2AMAPTHTTSLC6A2
SCHEMBL837233 0.89 RIPK1 (0.51) SLC6A4SLC6A2TDP1L3MBTL1MEN1
SCHEMBL9429974 0.87 SLC6A4 (0.54) SLC6A4HTR2AMAPTHTTNPC1
SCHEMBL2248000 0.87 HTR2A (0.60) SLC6A4HTR2AMAPTHTTSLC6A2
SCHEMBL10093148 0.87 SLC6A4 (0.43) SLC6A4HTR2AHTTSLC6A2SLC6A3
SCHEMBL9042004 0.84 ALDH1A1 (0.45) SLC6A4HTR2ASLC6A2SLC6A3TDP1
SCHEMBL9150938 0.82 KDM4E (0.48) SLC6A4HTTSLC6A2MEN1KMT2A
SCHEMBL8944629 0.81 TSPO (0.44) SLC6A4SLC6A2TDP1L3MBTL1CXCL8
SCHEMBL9128207 0.80 HTR2A (0.63) SLC6A4HTR2AMAPTLMNA
SCHEMBL8002569 0.79 MTNR1B (0.54) TDP1L3MBTL1MEN1KMT2ALMNA

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6566547-B1 3-alkoxy-2-phenylacrylic acid derivatives ZENECA LIMITED (GB) 2003-05-20 US disclosed
EP-0178826-B2 Fungicides SYNGENTA LTD (GB) 2003-04-09 EP disclosed
EP-0515535-A4 ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT MERCK & CO INC (US) 1996-01-17 EP disclosed
EP-0517812-A4 ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT MERCK & CO INC (US) 1995-10-18 EP disclosed
US-5449682-A Angiotensin II antagonists incorporating a substituted benzyl element MERCK & CO., INC. (US) 1995-09-12 US disclosed
US-5420133-A Quinazolinones substituted with phenoxyphenylacetic acid derivatives MERCK & CO., INC. (US) 1995-05-30 US disclosed
US-5373015-A Treating hypertension and congestive heart failure IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-12-13 US disclosed
US-5315025-A Acrylate ethers IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-05-24 US disclosed
US-5286894-A Phenyl acrylic acid derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-02-15 US disclosed
US-5264439-A Quinazolinone, triazolinone and pyrimidinone angiotensin II antagonists incorporating a substituted benzyl element MERCK & CO., INC. (US) 1993-11-23 US disclosed
US-5240938-A Angiotensin II antagonists incorporating a substituted pyridoimidazolyl ring MERCK & CO., INC. (US) 1993-08-31 US disclosed
EP-0539066-A1 Heterocyclic compounds useful as angiotensin II antagonists ZENECA LIMITED (GB) 1993-04-28 EP disclosed
EP-0517812-A1 ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT MERCK & CO. INC. (US) 1992-12-16 EP disclosed
EP-0515535-A1 ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT MERCK & CO. INC. (US) 1992-12-02 EP disclosed
EP-0178826-B1 FUNGICIDES ZENECA LIMITED (GB) 1991-12-18 EP disclosed
WO-1991011999-A1 ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT MERCK & CO., INC. (US) 1991-08-22 WO disclosed
WO-1991012001-A1 ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT MERCK & CO., INC. (US) 1991-08-22 WO disclosed
EP-0431328-A2 Fungicides ZENECA LIMITED (GB) 1991-06-12 EP disclosed
EP-0178826-A2 Fungicides ZENECA LIMITED (GB) 1986-04-23 EP disclosed