SCHEMBL8535304

SCHEMBL8535304

CC(C)Cc1ccc(OS(=O)OCC#CC2CCCCC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.33
FFAR4 Q5NUL3 2/20 0.33
ACACB O00763 5/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CHRM3 P20309 1/20 0.32
HCAR2 Q8TDS4 1/20 0.31
FAAH O00519 1/20 0.30

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
SCHEMBL10735656 0.73 HCAR2 (0.32) HCAR2
SCHEMBL2764493 0.72 REN (0.35) ACACBCHRM3FAAH
SCHEMBL10735648 0.65 HCAR2 (0.30) HCAR2
SCHEMBL765879 0.63 PARP15 (0.51) FFAR1ACACB
SCHEMBL19316730 0.62 HCAR2 (0.30) HCAR2
SCHEMBL14086001 0.61 ACACB (0.38) ACACBKDM4EALDH1A1
SCHEMBL16191579 0.60 LTA4H (0.43) FAAH
SCHEMBL23507598 0.58 HCAR2 (0.33) HCAR2
SCHEMBL4575613 0.58 SLC6A4 (0.48)
SCHEMBL16191624 0.58 PTGS1 (0.43) ALDH1A1FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4775534-A CONTROLLED RELEASE SUBSTRATE MIXED WITH FARNESOL AND NEROLIDOL; SPRAYING FERMONE CHEMICALS, INC. (US) 1988-10-04 US claimed
WO-1987004591-A1 MITICIDAL COMPOSITION AND METHOD FOR CONTROLLING SPIDER MITE POPULATIONS FERMONE CHEMICALS, INC. (US) 1987-08-13 WO claimed
EP-0600080-B1 ORGANIC PESTICIDE HOT PEPPER WAX INC (US) 1998-09-09 EP disclosed
US-5466459-A Wax and capsaicin based pesticide WILDER AGRICULTURAL PRODUCTS CO., INC. (US) 1995-11-14 US disclosed
US-4775534-A CONTROLLED RELEASE SUBSTRATE MIXED WITH FARNESOL AND NEROLIDOL; SPRAYING FERMONE CHEMICALS, INC. (US) 1988-10-04 US disclosed