SCHEMBL9558487

SCHEMBL9558487

COc1ccc(Oc2cccc(COCC(C)(C)C)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.52
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 2/20 0.52
HTT P42858 1/20 0.52
IDO1 P14902 2/20 0.47
AGXT P21549 2/20 0.47
MAOB P27338 5/20 0.46
LTA4H P09960 2/20 0.44
TAAR1 Q96RJ0 3/20 0.41
GABRA1 P14867 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRB2 P47870 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MMP13 P45452 1/20 0.40
TP53 P04637 1/20 0.40
PKM P14618 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
SCHEMBL3156299 0.91 IDO1 (0.43) SMN1; SMN2KDM4EALDH1A1HTTIDO1
SCHEMBL9559057 0.89 KDM4E (0.46) SMN1; SMN2KDM4EALDH1A1HTTMEN1
SCHEMBL18997045 0.89 IDO1 (0.59) IDO1AGXTMAOBTAAR1GABRA1
SCHEMBL10854073 0.89 SMN1; SMN2 (0.50) SMN1; SMN2KDM4EALDH1A1HTTIDO1
SCHEMBL9558587 0.87 FFAR4 (0.41) SMN1; SMN2KDM4EALDH1A1HTTAGXT
SCHEMBL9339448 0.86 KDM4E (0.54) SMN1; SMN2KDM4EALDH1A1HTTIDO1
SCHEMBL10855943 0.86 KDM4E (0.54) SMN1; SMN2KDM4EALDH1A1HTTIDO1
SCHEMBL10483784 0.84 MMP13 (0.48) SMN1; SMN2KDM4EALDH1A1HTTIDO1
SCHEMBL10853574 0.83 ALDH1A1 (0.45) SMN1; SMN2KDM4EALDH1A1HTTIDO1
SCHEMBL10857765 0.83 HTT (0.46) SMN1; SMN2KDM4EALDH1A1HTTIDO1

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