SCHEMBL18873992

SCHEMBL18873992

CCc1ccc(-c2ccc(Cl)c(F)c2)cc1C1=C(O)[C@@H]2C3CCC(O3)[C@@H]2C1=O

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACACB O00763 6/20 0.40
ACACA Q13085 6/20 0.40
CYP11B1 P15538 4/20 0.34
CYP11B2 P19099 4/20 0.34
FFAR1 O14842 1/20 0.33
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32

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
SCHEMBL6727521 1.00 ACACB (0.40) ACACBACACACYP11B1CYP11B2FFAR1
SCHEMBL18873828 0.91 S1PR1 (0.33) ACACBACACA
SCHEMBL6727407 0.91 S1PR1 (0.33) ACACBACACA
SCHEMBL18874251 0.88 ACACB (0.31) ACACBACACA
SCHEMBL6727522 0.88 ACACB (0.31) ACACBACACA
SCHEMBL18873819 0.87 ACACB (0.36) ACACBACACA
SCHEMBL6727447 0.87 ACACB (0.36) ACACBACACA
SCHEMBL6727363 0.87 PDE3B (0.35) ACACBACACA
SCHEMBL18874238 0.87 PDE3B (0.35) ACACBACACA
SCHEMBL10196174 0.87 HTR2A (0.35) ACACBACACA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2173755-B1 NOVEL HERBICIDES SYNGENTA LTD (GB) 2017-05-17 EP disclosed