SCHEMBL7426404

SCHEMBL7426404

CCC(C(C)=O)c1cc(OC)c(OC)cc1C(=O)c1cc(OC)c(OC)c(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.46
TUBB4A P04350 4/20 0.43
TUBB P07437 4/20 0.43
TUBA3C P0DPH7 4/20 0.43
TUBA1B P68363 4/20 0.43
TUBA4A P68366 4/20 0.43
TUBB4B P68371 4/20 0.43
TUBB3 Q13509 4/20 0.43
TUBB2A Q13885 4/20 0.43
TUBB8 Q3ZCM7 4/20 0.43
TUBA3E Q6PEY2 4/20 0.43
TUBA1A Q71U36 4/20 0.43
TUBA1C Q9BQE3 4/20 0.43
TUBB6 Q9BUF5 4/20 0.43
TUBB2B Q9BVA1 4/20 0.43
TUBB1 Q9H4B7 4/20 0.43
PDK1 Q15118 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 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
SCHEMBL4282581 0.87 TSHR (0.54) MAPK1PDK1KDM4EALDH1A1KMT2A
Ethylene SCHEMBL6410194 0.85 TSHR (0.51) MAPK1PDK1KDM4EALDH1A1KMT2A
SCHEMBL14448350 0.83 MAPK1 (0.53) MAPK1ALDH1A1
SCHEMBL3854017 0.81 TUBB4A (0.48) MAPK1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL3247280 0.80 CYP3A4 (0.49) MAPK1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7380165 0.79 TUBB1 (0.49) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8323174 0.79 SMPD1 (0.48) MAPK1ALDH1A1
SCHEMBL8337903 0.79 SMPD1 (0.48) MAPK1ALDH1A1
SCHEMBL14448347 0.79 TSHR (0.50) MAPK1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL14713356 0.77 TSHR (0.48) MAPK1PDK1ALDH1A1

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
US-4322346-A 5H-2,3-Benzodiazepine derivatives KOROSI JENO 1982-03-30 US disclosed