SCHEMBL9558462

SCHEMBL9558462

COc1ccc(C(C(=O)OCc2cccc(Oc3ccccc3)c2)C(C)C)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
KDM4E B2RXH2 1/20 0.52
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
FFAR1 O14842 7/20 0.49
LMNA P02545 2/20 0.48
MMP1 P03956 2/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
ACHE P22303 1/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP12 P39900 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46
PTGES O14684 1/20 0.45
FAAH O00519 1/20 0.44
TDP1 Q9NUW8 2/20 0.44
ADRA2A P08913 1/20 0.44
CNR1 P21554 1/20 0.44
ATM Q13315 1/20 0.44

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
SCHEMBL11192400 0.92 PTGS1 (0.52) FFAR1LMNAMMP1MMP2MMP9
SCHEMBL9558474 0.89 ACHE (0.49) FFAR1MMP1CA1CA2ACHE
SCHEMBL11444616 0.88 FFAR1 (0.47) ALDH1A1KDM4EFFAR1LMNAMMP1
SCHEMBL8935419 0.88 LMNA (0.54) ALDH1A1FFAR1LMNAMMP1MMP2
SCHEMBL11791207 0.88 FFAR1 (0.47) SMN1; SMN2FFAR1LMNAMMP1MMP2
SCHEMBL4986942 0.88 FFAR1 (0.47) FFAR1LMNAMMP1MMP2MMP9
SCHEMBL9557969 0.87 CA1 (0.47) ALDH1A1KDM4ESMN1; SMN2FFAR1LMNA
SCHEMBL11551340 0.87 FFAR1 (0.48) FFAR1LMNAMMP1MMP2MMP9
SCHEMBL11445496 0.87 MAPK14 (0.49) FFAR1MMP1MMP2MMP9MMP12
SCHEMBL11444772 0.85 CETP (0.48) FFAR1MMP1MMP2MMP9MMP12

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