SCHEMBL9570632

SCHEMBL9570632

CC(C)c1ccc(C(COCc2ccc(F)c(Oc3ccccc3)c2)C(F)(F)F)cc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DUT P33316 1/20 0.35
FFAR1 O14842 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
TACR1 P25103 6/20 0.34
CACNA1F O60840 1/20 0.34
CACNA1D Q01668 1/20 0.34
CACNA1S Q13698 1/20 0.34
CACNA1C Q13936 1/20 0.34
CETP P11597 1/20 0.34
LPAR1 Q92633 3/20 0.33
LPAR5 Q9H1C0 3/20 0.33
TTR P02766 1/20 0.33
PTGES2 Q9H7Z7 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 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
SCHEMBL9561512 0.92 TACR1 (0.36) FFAR1FFAR4TACR1CACNA1FCACNA1D
SCHEMBL9570611 0.92 MEN1 (0.37) DUTFFAR1FFAR4TACR1CACNA1F
SCHEMBL9570771 0.91 FFAR1 (0.35) DUTFFAR1FFAR4TACR1CACNA1F
SCHEMBL9561249 0.91 FFAR1 (0.40) FFAR1TACR1LPAR1LPAR5TTR
SCHEMBL9570693 0.91 TACR1 (0.36) DUTFFAR1TACR1CACNA1FCACNA1D
SCHEMBL9560935 0.91 LTA4H (0.36) DUTFFAR1FFAR4TACR1CACNA1F
SCHEMBL9561242 0.89 CETP (0.34) DUTFFAR1TACR1CACNA1FCACNA1D
SCHEMBL9560897 0.89 FFAR1 (0.37) DUTFFAR1TACR1CACNA1FCACNA1D
SCHEMBL409992 0.89 LTA4H (0.41) FFAR1CACNA1CCETP
SCHEMBL9570834 0.89 TACR1 (0.34) DUTFFAR1FFAR4TACR1CACNA1F

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
EP-0545891-A2 Aldehyde compounds and derivatives thereof useful as intermediates in the preparation of insectical ether compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-06-09 EP disclosed
US-4840971-A INSECTICIDES, MITICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-06-20 US disclosed
EP-0240978-A2 Ether compounds, process for their preparation, compositions containing the same and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-10-14 EP disclosed