SCHEMBL9505809

SCHEMBL9505809

CCOC(=O)C(C)Oc1cc(Oc2ccc(C(F)(F)F)cc2)ccc1C(=O)OC

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 0.48
CFTR P13569 1/20 0.43
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
LMNA P02545 2/20 0.38
FPR2 P25090 1/20 0.38
SCN9A Q15858 1/20 0.38
NR5A1 Q13285 1/20 0.38
CYP1A1 P04798 1/20 0.37
CYP1B1 Q16678 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PPARD Q03181 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL9503943 0.88 FFAR1 (0.48) IDH1CFTRKMT2ALMNATDP1
SCHEMBL403443 0.81 IDH1 (0.55) IDH1KMT2AALDH1A1NPSR1LMNA
SCHEMBL11210510 0.81 IDH1 (0.51) IDH1KMT2AALDH1A1LMNAFPR2
SCHEMBL9503662 0.80 FFAR1 (0.48) CFTRKMT2ALMNATDP1
SCHEMBL9507509 0.80 FFAR1 (0.46) CFTRKMT2ALMNATDP1PPARD
SCHEMBL10646208 0.80 IDH1 (0.50) IDH1KMT2AALDH1A1LMNAFPR2
SCHEMBL9507539 0.79 FFAR1 (0.48) CFTRKMT2ALMNATDP1
SCHEMBL9507464 0.78 TDP1 (0.53) KMT2AALDH1A1NPSR1LMNATDP1
SCHEMBL9507156 0.78 FFAR1 (0.49) IDH1KMT2ATDP1PPARD
SCHEMBL9503637 0.78 MEN1 (0.53) IDH1KMT2AALDH1A1TDP1PPARD

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-0281103-B1 PHENOXYCARBOXYLIC ACID COMPOUNDS AND HERBICIDE COMPRISING IT AS ACTIVE INGREDIENT TEIJIN LIMITED (JP) 1993-06-23 EP disclosed
US-4845264-A PRE- AND POST-EMERGENCE FOR BROAD-LEAVED WEEDS TEIJIN LIMITED (JP) 1989-07-04 US disclosed
EP-0281103-A2 Phenoxycarboxylic acid compounds and herbicide comprising it as active ingredient TEIJIN LIMITED (JP) 1988-09-07 EP disclosed