SCHEMBL8951995

SCHEMBL8951995

O=C(c1cccc2c1OC(F)(F)O2)C(F)(F)Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.33
IDO1 P14902 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
RORC P51449 2/20 0.33
CXCR2 P25025 2/20 0.33
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
ATR Q13535 1/20 0.32
CTNNB1 P35222 1/20 0.32
WNT3A P56704 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
ALPG P10696 1/20 0.31
PKLR P30613 1/20 0.31
ADORA2A P29274 1/20 0.31
CYP1A2 P05177 1/20 0.31
POLB P06746 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 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
SCHEMBL8952075 0.88 PLA2G2D (0.37) CHRM4IDO1FFAR4RORCCXCR2
SCHEMBL1256244 0.81 ALOX15 (0.40) CHRM4IDO1FFAR4CXCR2NR1H2
SCHEMBL29710998 0.79 ALOX5 (0.41) FFAR4ATRCTNNB1WNT3ACYP2C9
SCHEMBL9726223 0.79 FFAR4 (0.36) CHRM4IDO1FFAR4CXCR2NR1H2
SCHEMBL1902302 0.78 IDO1 (0.40) IDO1FFAR4CXCR2ATRCTNNB1
SCHEMBL4764043 0.78 PARP1 (0.44) FFAR4ATRMAPT
Hydrochloric Acid SCHEMBL9235440 0.78 ALOX5 (0.41) CHRM4FFAR4ATRCTNNB1WNT3A
SCHEMBL10687705 0.78 FFAR4 (0.36) CHRM4IDO1FFAR4CXCR2NR1H2
SCHEMBL637798 0.75 PTPN1 (0.44) CHRM4IDO1FFAR4ATRCTNNB1
SCHEMBL8886611 0.74 PDK2 (0.39) IDO1FFAR4ATRCTNNB1WNT3A

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
US-5514816-A REACTION OF DIFLUOROBENZO-1,3-DIOXOLE WITH METAL COMPOUNDS FOR INSECTICIDES CIBA-GEIGY CORPORATION (US) 1996-05-07 US disclosed
US-5496848-A Process for the preparation of substituted difluorobenzo-1,3-dioxoles CIBA-GEIGY CORPORATION (US) 1996-03-05 US disclosed
US-5493032-A INSECTICIDES, MICROBIOCIDES CIBA-GEIGY CORPORATION (US) 1996-02-20 US disclosed
EP-0333658-B1 Process for the preparation of substituted difluorbenzo-1,3-dioxoles CIBA GEIGY AG (CH) 1995-07-26 EP disclosed
US-5420301-A Process for the preparation of substituted difluorobenzo-1,3-dioxoles CIBA-GEIGY CORPORATION (US) 1995-05-30 US disclosed
US-5281718-A Reacting in one pot reaction 2,2-difluorobenzodioxole with an organometal compound or metal to form 4-metallo-2,2-difluorobenzodioxole, reacting with unsaturated nitrile, then with isocyanide CIBA-GEIGY CORPORATION (US) 1994-01-25 US disclosed
US-5194628-A Reacting metallo-difluorobenzodioxole with unsaturated nitrile and then with sulfonylmethyl isocyanide CIBA-GEIGY CORPORATION (US) 1993-03-16 US disclosed
EP-0333658-A2 Process for the preparation of substituted difluorbenzo-1,3-dioxoles CIBA-GEIGY AG (CH) 1989-09-20 EP disclosed