SCHEMBL9558153

SCHEMBL9558153

c1ccc(Oc2cccc(COCC3CC3)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.45
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
HTT P42858 2/20 0.44
MGLL Q99685 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HPGD P15428 1/20 0.44
FFAR1 O14842 2/20 0.44
FFAR4 Q5NUL3 2/20 0.44
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CTSK P43235 1/20 0.43
MMP1 P03956 1/20 0.42
CCR8 P51685 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL11256794 0.85 NAAA (0.49) FFAR4CTSLCTSBCTSK
SCHEMBL2354114 0.83 TSHR (0.56) KDM4EALDH1A1HTTTDP1HPGD
SCHEMBL17019782 0.81 TSHR (0.58) CTSLCTSBCTSK
SCHEMBL1928095 0.81 TSHR (0.58) CTSLCTSBCTSK
SCHEMBL9558029 0.80 TDP1 (0.45) TACR1KDM4EALDH1A1HTTTDP1
SCHEMBL9557897 0.79 TDP1 (0.46) KDM4EALDH1A1HTTTDP1FFAR1
SCHEMBL17597750 0.79 FFAR4 (0.42) KDM4EALDH1A1HTTTDP1HPGD
SCHEMBL9558602 0.79 FFAR4 (0.44) FFAR1FFAR4
SCHEMBL7931594 0.77 FFAR1 (0.48) TACR1KDM4EALDH1A1HTTTDP1
SCHEMBL19849103 0.77 ACACA (0.56) KDM4EALDH1A1SMN1; 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 6 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
EP-0227369-A1 Insecticidal alkenes IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-07-01 EP disclosed
EP-0220810-A1 Insecticidal ethers IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-05-06 EP disclosed