SCHEMBL9558574

SCHEMBL9558574

ClC(Cl)(Cl)COCc1cccc(Oc2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.45
FFAR4 Q5NUL3 2/20 0.45
TDP1 Q9NUW8 2/20 0.43
LMNA P02545 1/20 0.43
ADRA2A P08913 1/20 0.43
CNR1 P21554 1/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MMP1 P03956 2/20 0.43
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
HTT P42858 2/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP12 P39900 1/20 0.42
CETP P11597 1/20 0.42
MAOB P27338 1/20 0.41

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
SCHEMBL2354114 0.84 TSHR (0.56) FFAR1FFAR4TDP1MMP1KDM4E
SCHEMBL9559057 0.84 KDM4E (0.46) FFAR1FFAR4TDP1LMNAADRA2A
SCHEMBL10660015 0.82 TDP1 (0.43) FFAR1FFAR4TDP1LMNAADRA2A
SCHEMBL10532258 0.81 NPC1 (0.44) FFAR1FFAR4TDP1LMNAADRA2A
SCHEMBL8570929 0.80 TSHR (0.61) KDM4EALDH1A1
SCHEMBL10859391 0.80 NPC1 (0.49) FFAR1FFAR4TDP1LMNAADRA2A
SCHEMBL10654231 0.79 KDM4E (0.42) FFAR1FFAR4TDP1LMNAADRA2A
Methyl Alcohol SCHEMBL9848800 0.79 NPC1 (0.45) FFAR1FFAR4TDP1LMNAADRA2A
SCHEMBL10346794 0.79 KDM4E (0.45) FFAR1FFAR4TDP1LMNAADRA2A
SCHEMBL9645040 0.79 FFAR1 (0.46) FFAR1FFAR4TDP1LMNAADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0257415-B1 INSECTICIDAL RESIN COATING FILM MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-03-31 EP disclosed
US-4997650-A (Meth)acrylonitrile polymer MITSUI TOATSU CHEMICALS, INC. (JP) 1991-03-05 US disclosed
US-4818525-A LONG-LASTING; ACRYLONITRILE COPOLYMER MITSUI TOATSU CHEMICALS, INC. (JP) 1989-04-04 US disclosed
EP-0257415-A1 Insecticidal resin coating film MITSUI TOATSU CHEMICALS, Inc. (JP) 1988-03-02 EP disclosed