SCHEMBL9520759

SCHEMBL9520759

CC(C)=CC1C(OC(=O)O)C1(C)C

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
ALOX15 P16050 1/20 0.39
CYP1A2 P05177 3/20 0.35
CYP2C19 P33261 3/20 0.35
TSHR P16473 3/20 0.35
TDP1 Q9NUW8 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL11292470 1.00 LMNA (0.43) LMNAALOX15CYP1A2CYP2C19TSHR
SCHEMBL1325683 0.86 LMNA (0.44) LMNAALOX15CYP1A2CYP2C19TSHR
SCHEMBL8584924 0.86 LMNA (0.44) LMNAALOX15CYP1A2CYP2C19TSHR
SCHEMBL11503301 0.84 LMNA (0.33) LMNATSHRTDP1NPSR1
SCHEMBL9520258 0.84 LMNA (0.33) LMNATSHRTDP1NPSR1
SCHEMBL11382005 0.84 LMNA (0.33) LMNATSHRTDP1NPSR1
SCHEMBL11348171 0.84 LMNA (0.33) LMNATSHRTDP1NPSR1
SCHEMBL11217037 0.84 LMNA (0.33) LMNATSHRTDP1NPSR1
SCHEMBL9519346 0.82 LMNA (0.32) LMNA
SCHEMBL9518850 0.82

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
EP-0414059-B1 Dihalogenovinylbenzylesters, process and starting material for their preparation and their utilization for the control of parasites BASF AG (DE) 1993-10-27 EP disclosed
EP-0347694-B1 PYRETHROIDS, PROCESS FOR THEIR PREPARATION AND THEIR USE IN COMBATING PESTS BASF Aktiengesellschaft (DE) 1992-08-26 EP disclosed
EP-0414059-A1 Dihalogenovinylbenzylesters, process and starting material for their preparation and their utilization for the control of parasites BASF Aktiengesellschaft (DE) 1991-02-27 EP disclosed
EP-0347694-A1 Pyrethroids, process for their preparation and their use in combating pests BASF Aktiengesellschaft (DE) 1989-12-27 EP disclosed
EP-0020988-A2 Process for preparing alpha-cyano-benzyl esters; intermediates therefor and their preparation BAYER AG (DE) 1981-01-07 EP disclosed