SCHEMBL20118893

SCHEMBL20118893

COc1ccc(C(C)=O)c(OC)c1OC(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
MAPT P10636 3/20 0.49
TDP1 Q9NUW8 1/20 0.49
LMNA P02545 2/20 0.45
KDM4E B2RXH2 1/20 0.45
HSD17B10 Q99714 1/20 0.45
GAA P10253 1/20 0.43
HTT P42858 1/20 0.41
TUBB1 Q9H4B7 4/20 0.40
PDE4D Q08499 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39

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
SCHEMBL6060599 0.95 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AMAPTTDP1
SCHEMBL1421887 0.87 ALDH1A1 (0.59) ALDH1A1MEN1KMT2AMAPTTDP1
SCHEMBL30069060 0.87 ALDH1A1 (0.59) ALDH1A1MEN1KMT2AMAPTTDP1
SCHEMBL27883374 0.83 MAPT (0.57) ALDH1A1MEN1KMT2AMAPTTDP1
SCHEMBL8891437 0.79 IRAK4 (0.38) ALDH1A1MEN1KMT2AMAPTTDP1
SCHEMBL10740410 0.77 LMNA (0.56) ALDH1A1MEN1KMT2AMAPTTDP1
SCHEMBL5144939 0.77 HTT (0.51) ALDH1A1MEN1KMT2AMAPTTDP1
SCHEMBL335038 0.77 MAPT (0.73) ALDH1A1MEN1KMT2AMAPTTDP1
SCHEMBL29405531 0.77 MAPT (0.73) ALDH1A1MEN1KMT2AMAPTTDP1
SCHEMBL4880989 0.75 ALDH1A1 (0.48) ALDH1A1MEN1KMT2AMAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3315531-A1 8-ARM POLYETHYLENE GLYCOL DERIVATIVE, MANUFACTURING METHOD AND MODIFIED BIO-RELATED SUBSTANCE THEREBY Xiamen Sinopeg Biotech Co., Ltd. (CN) 2018-05-02 EP disclosed