SCHEMBL9558361

SCHEMBL9558361

COc1ccc(C(COCc2cccc(Oc3ccccc3)c2)C(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HTT P42858 1/20 0.51
PLA2G1B P04054 1/20 0.46
ATG4B Q9Y4P1 1/20 0.46
LTA4H P09960 1/20 0.44
PKM P14618 2/20 0.43
FFAR1 O14842 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TACR1 P25103 1/20 0.43
IDO1 P14902 2/20 0.40
AGXT P21549 2/20 0.40
AOC3 Q16853 1/20 0.40
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
TAAR1 Q96RJ0 2/20 0.40
TP53 P04637 1/20 0.40
NFKB1 P19838 1/20 0.40

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
SCHEMBL9558733 0.89 FFAR1 (0.45) KDM4EALDH1A1SMN1; SMN2HTTFFAR1
SCHEMBL9558968 0.88 FFAR1 (0.52) ALDH1A1SMN1; SMN2LTA4HPKMFFAR1
SCHEMBL9558288 0.88 PPARG (0.46) ALDH1A1FFAR1TACR1MRGPRX4
SCHEMBL9558366 0.87 ALDH1A1 (0.44) KDM4EALDH1A1SMN1; SMN2HTTFFAR1
SCHEMBL9558603 0.83 TACR1 (0.43) FFAR1TACR1
SCHEMBL9560683 0.82 KDM4E (0.50) KDM4EALDH1A1SMN1; SMN2HTTLTA4H
SCHEMBL9559031 0.81 MRGPRX4 (0.39) FFAR1MEN1KMT2ATACR1MRGPRX4
SCHEMBL9558340 0.79 PTGES (0.47) KDM4EALDH1A1SMN1; SMN2HTTFFAR1
SCHEMBL9558462 0.76 ALDH1A1 (0.52) KDM4EALDH1A1SMN1; SMN2HTTPLA2G1B
SCHEMBL13620564 0.76 FFAR1 (0.54) SMN1; SMN2LTA4HPKMFFAR1TP53

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