SCHEMBL9537251

SCHEMBL9537251

CC(C)C(C(=O)O)c1ccccc1OC(F)F

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.42
ALOX12 P18054 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 3/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HTT P42858 2/20 0.39
POLB P06746 1/20 0.39
NR1I2 O75469 1/20 0.38
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
HPGD P15428 1/20 0.36
CASP1 P29466 1/20 0.36

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
SCHEMBL18304343 0.83 PTGS2 (0.47) KMT2AALOX12L3MBTL1MEN1RAB9A
SCHEMBL5511656 0.83 KMT2A (0.56) KMT2AL3MBTL1MEN1SMN1; SMN2HTT
SCHEMBL10767619 0.79 L3MBTL1 (0.42) KMT2AL3MBTL1MEN1SMN1; SMN2HTT
SCHEMBL28831706 0.77 L3MBTL1 (0.43) KMT2AL3MBTL1MEN1RAB9ASMN1; SMN2
SCHEMBL909291 0.76 KMT2A (0.44) KMT2AL3MBTL1MEN1RAB9ASMN1; SMN2
SCHEMBL2497858 0.75 ALOX12 (0.44) KMT2AALOX12L3MBTL1MEN1RAB9A
SCHEMBL29474990 0.75 ALOX12 (0.44) KMT2AALOX12L3MBTL1MEN1RAB9A
SCHEMBL2737257 0.75 NISCH (0.46) KMT2AALOX12L3MBTL1MEN1RAB9A
SCHEMBL8418933 0.74 CES2 (0.44) KMT2AMEN1SMN1; SMN2CYP2D6TSHR
SCHEMBL20534677 0.74 PTGFR (0.43) KMT2AL3MBTL1MEN1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0160182-B1 INSECTICIDAL AQUEOUS-BASED MICRO EMULSION COMPOSITIONS AMERICAN CYANAMID COMPANY (US) 1993-03-03 EP claimed
EP-0160182-A2 Insecticidal aqueous-based micro emulsion compositions AMERICAN CYANAMID COMPANY (US) 1985-11-06 EP claimed
EP-0101570-A1 Method for the resolution of racemic 2-CP-difluoromethoxy phenyl)-3-methylbutyric acid AMERICAN CYANAMID COMPANY (US) 1984-02-29 EP claimed
EP-0160182-B1 INSECTICIDAL AQUEOUS-BASED MICRO EMULSION COMPOSITIONS AMERICAN CYANAMID COMPANY (US) 1993-03-03 EP disclosed
US-4904695-A BLEND WITH SURFACTANT, ANTIFOAM AGENT, THICKENERS, ANTIFREEZE AGENT AND PRESERVATIVE AMERICAN CYANAMID COMPANY (US) 1990-02-27 US disclosed
EP-0274546-A1 New oxazolinone compounds useful as intermediates for the preparation of insecticidal and acaracidal cinnamide compounds AMERICAN CYANAMID COMPANY (US) 1988-07-20 EP disclosed
EP-0160182-A2 Insecticidal aqueous-based micro emulsion compositions AMERICAN CYANAMID COMPANY (US) 1985-11-06 EP disclosed
EP-0101570-A1 Method for the resolution of racemic 2-CP-difluoromethoxy phenyl)-3-methylbutyric acid AMERICAN CYANAMID COMPANY (US) 1984-02-29 EP disclosed