SCHEMBL28295260

SCHEMBL28295260

CC=CC(=O)Oc1c(OC)cc(C2(c3cc(OC)c(OC(=O)C=CC)c(OC)c3OC)c3ccccc3-c3ccccc32)c(OC)c1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.43
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36
TUBB2A Q13885 1/20 0.36
TUBB8 Q3ZCM7 1/20 0.36
TUBA3E Q6PEY2 1/20 0.36
TUBA1A Q71U36 1/20 0.36
TUBA1C Q9BQE3 1/20 0.36
TUBB6 Q9BUF5 1/20 0.36
TUBB2B Q9BVA1 1/20 0.36
TUBB1 Q9H4B7 1/20 0.36
TNFRSF1A P19438 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL6325063 0.80 ELANE (0.35) HTR1ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL28293429 0.79 PDK2 (0.35) ALDH1A1MAPTABCB1LMNAHTT
SCHEMBL21084455 0.79 MEN1 (0.39) HTR1AALDH1A1MAPTMEN1KMT2A
SCHEMBL21084449 0.75 ESR1 (0.47) HTR1AALDH1A1MAPTMEN1KMT2A
SCHEMBL4141404 0.75 ALDH1A1 (0.37) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL28295326 0.74 L3MBTL1 (0.33) MAPTTSHRCYP1A2CYP2D6
SCHEMBL21084452 0.74 ESR1 (0.44) HTR1AALDH1A1MAPTMEN1KMT2A
SCHEMBL28033451 0.73 LMNA (0.42) HTR1ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL21084446 0.73 ESR1 (0.44) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL12279930 0.71 KMT2A (0.47) HTR1AALDH1A1MAPTMEN1KMT2A

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
CN-109790258-A Solidification compound and solidfied material AGC株式会社 2019-05-21 CN disclosed