SCHEMBL8977016

SCHEMBL8977016

CC(C#Cc1ccc(Cl)cc1)=CCO

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.48
CHRM2 P08172 4/20 0.44
CHRM1 P11229 4/20 0.44
ACACB O00763 1/20 0.41
KCNH2 Q12809 1/20 0.36
PPARD Q03181 2/20 0.36
PPARA Q07869 2/20 0.36
LMNA P02545 1/20 0.35
FFAR4 Q5NUL3 3/20 0.35
GRM5 P41594 1/20 0.33

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
SCHEMBL8977007 1.00 FFAR1 (0.48) FFAR1CHRM2CHRM1ACACBKCNH2
SCHEMBL5634911 0.91 FFAR1 (0.54) FFAR1CHRM2CHRM1PPARDPPARA
SCHEMBL5634910 0.91 FFAR1 (0.54) FFAR1CHRM2CHRM1PPARDPPARA
SCHEMBL5634667 0.85 FFAR1 (0.50) FFAR1CHRM2CHRM1ACACBPPARD
SCHEMBL5634669 0.85 FFAR1 (0.50) FFAR1CHRM2CHRM1ACACBPPARD
SCHEMBL5479874 0.82 FFAR1 (0.45) FFAR1CHRM2CHRM1FFAR4
SCHEMBL5480482 0.82 FFAR1 (0.45) FFAR1CHRM2CHRM1FFAR4
SCHEMBL5479882 0.82 FFAR1 (0.45) FFAR1CHRM2CHRM1FFAR4
SCHEMBL6784377 0.82 FFAR1 (0.55) FFAR1CHRM2CHRM1PPARDPPARA
SCHEMBL6784384 0.82 FFAR1 (0.55) FFAR1CHRM2CHRM1PPARDPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5508412-A USED IN FORMATION OF UNSATURATED CYCLOHEXENONE OXIME ETHERS; HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1996-04-16 US disclosed
US-5407896-A Herbicides BASF AKTIENGESELLSCHAFT (DE) 1995-04-18 US disclosed
US-5403812-A Also containing a sulfur-containing ring; control of grasses but selective of broad-leaved and monocotyledonous crops BASF AKTIENGESELLSCHAFT (DE) 1995-04-04 US disclosed