SCHEMBL7171902

SCHEMBL7171902

N#Cc1ccccc1COc1cccc(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 2/20 0.49
▸ FFAR1 O14842 1/20 0.48
▸ DHFR P00374 1/20 0.47
▸ DCPS Q96C86 1/20 0.47
▸ SPHK2 Q9NRA0 1/20 0.46
▸ SPHK1 Q9NYA1 1/20 0.46
▸ NR4A2 P43354 3/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ AR P10275 1/20 0.45
▸ MAPK1 P28482 2/20 0.44
▸ HTR6 P50406 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ PLAU P00749 1/20 0.44
▸ NR4A1 P22736 1/20 0.44
▸ NR4A3 Q92570 1/20 0.44
▸ MAPT P10636 2/20 0.44
▸ TSHR P16473 2/20 0.44

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
SCHEMBL15607572 0.83 FFAR1 (0.52) MAOBFFAR1SPHK2SPHK1NR4A2
SCHEMBL9270379 0.82 FFAR1 (0.64) MAOBFFAR1SPHK2SPHK1HTT
SCHEMBL811204 0.82 MAOB (0.55) MAOBFFAR1SPHK2SPHK1NR4A2
SCHEMBL8596853 0.82 DHFR (0.47) MAOBDHFRDCPSNR4A2NPC1
SCHEMBL27414049 0.79 HTR6 (0.43) MAOBFFAR1DHFRDCPSNR4A2
SCHEMBL15331303 0.78 FFAR1 (0.48) MAOBFFAR1SPHK2SPHK1NR4A2
SCHEMBL28591722 0.78 NPC1 (0.63) MAOBFFAR1SPHK2SPHK1NPC1
SCHEMBL4030554 0.78 NR4A2 (0.67) FFAR1SPHK2SPHK1NR4A2NPC1
SCHEMBL9076409 0.78 MAPT (0.49) FFAR1DHFRDCPSNR4A2NPC1
SCHEMBL1155388 0.78 DHFR (0.50) MAOBDHFRDCPSNR4A2NPC1

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-6653258-B1 Pyridinyl-substituted- methyl 3-methoxy-2-phenylacrylate derivatives; agricultural miticides and nematocides SYNGENTA LIMITED (GB) 2003-11-25 — — US disclosed
EP-0278595-B2 Fungicides ZENECA LTD (GB) 2000-01-12 — — EP disclosed
US-5438059-A Derivatives of propenoic acid; stereoisomers; applying to plants ZENECA LIMITED (GB) 1995-08-01 — — US disclosed
EP-0472224-B1 Fungicides ZENECA LTD (GB) 1994-04-27 — — EP disclosed
EP-0472224-A1 Fungicides ZENECA LIMITED (GB) 1992-02-26 — — EP disclosed
US-5021581-A Fungicides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-06-04 — — US disclosed
EP-0278595-A2 Fungicides ZENECA LIMITED (GB) 1988-08-17 — — EP disclosed
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