SCHEMBL10653546

SCHEMBL10653546

CC(C)(COCc1cccc(Oc2ccccc2)c1)COS(C)(=O)=O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.46
PTGES O14684 1/20 0.42
CETP P11597 1/20 0.40
FFAR4 Q5NUL3 3/20 0.40
FDFT1 P37268 2/20 0.40
PGR P06401 1/20 0.40
LMNA P02545 1/20 0.39
ADRA2A P08913 1/20 0.39
CNR1 P21554 1/20 0.39
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MMP1 P03956 1/20 0.39
AKR1C3 P42330 1/20 0.38
FKBP1A P62942 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
SCHEMBL16585088 0.85 TSHR (0.44) LMNA
SCHEMBL15923224 0.82 FFAR1 (0.51) FFAR1PTGESCETPFFAR4FDFT1
SCHEMBL10660015 0.80 TDP1 (0.43) FFAR1PTGESCETPFFAR4LMNA
SCHEMBL10654231 0.80 KDM4E (0.42) FFAR1PTGESCETPFFAR4LMNA
SCHEMBL10346794 0.80 KDM4E (0.45) FFAR1PTGESCETPFFAR4LMNA
SCHEMBL9559057 0.80 KDM4E (0.46) FFAR1CETPFFAR4LMNAADRA2A
SCHEMBL10654818 0.79 RIPK1 (0.48) FFAR1FFAR4L3MBTL1
SCHEMBL9682549 0.77 KCNH2 (0.35) PGRLMNAATMMMP1
SCHEMBL10532258 0.77 NPC1 (0.44) FFAR1CETPFFAR4LMNAADRA2A
SCHEMBL10346737 0.76 TDP1 (0.45) FFAR1CETPFFAR4LMNAADRA2A

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
US-4792563-A Insecticidal ethers IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-12-20 US disclosed
EP-0266891-A1 Insecticidal ethers IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-05-11 EP disclosed