SCHEMBL6935700

SCHEMBL6935700

Cl[Mg]Cc1ccccc1Oc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.55
SLC6A4 P31645 9/20 0.53
SLC6A2 P23975 6/20 0.53
RIPK1 Q13546 1/20 0.53
CYP19A1 P11511 1/20 0.44
SLC6A3 Q01959 5/20 0.44
HTR2A P28223 4/20 0.44
DPP4 P27487 1/20 0.43
PPARA Q07869 1/20 0.42
LTA4H P09960 1/20 0.41
TSHR P16473 1/20 0.41
ALDH1A1 P00352 1/20 0.40
MAPK8 P45983 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
FFAR1 O14842 1/20 0.40
MAOA P21397 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL3142433 0.78 HRH1 (0.60) HRH1SLC6A4SLC6A2RIPK1CYP19A1
SCHEMBL3334897 0.77 HRH1 (0.64) HRH1SLC6A4SLC6A2RIPK1CYP19A1
SCHEMBL31737574 0.76 IDO1 (0.52) ALDH1A1L3MBTL1LMNAGAA
SCHEMBL809192 0.76 IDO1 (0.52) ALDH1A1L3MBTL1LMNAGAA
SCHEMBL313132 0.75 HRH1 (0.62) HRH1SLC6A4SLC6A2RIPK1CYP19A1
SCHEMBL1196716 0.74 HRH1 (0.71) HRH1SLC6A4SLC6A2RIPK1CYP19A1
SCHEMBL2031145 0.74 HRH1 (0.60) HRH1SLC6A4SLC6A2RIPK1CYP19A1
SCHEMBL194417 0.74 HRH1 (0.60) HRH1SLC6A4SLC6A2RIPK1CYP19A1
SCHEMBL2046663 0.74 HRH1 (0.60) HRH1SLC6A4SLC6A2RIPK1CYP19A1
SCHEMBL327806 0.74 SLC6A4 (0.63) HRH1SLC6A4SLC6A2RIPK1CYP19A1

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 7 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
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
EP-0178826-B1 FUNGICIDES ZENECA LIMITED (GB) 1991-12-18 EP 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