SCHEMBL10873510

SCHEMBL10873510

CCOc1c(N)c2c(c(OCC)c1OCC)C(C1c3c(cc4c(c3OC)OCO4)CCN1CC)OC2=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 5/20 0.56
TUBB P07437 5/20 0.56
TUBB4B P68371 5/20 0.56
TUBB3 Q13509 5/20 0.56
TUBB2A Q13885 5/20 0.56
TUBB8 Q3ZCM7 5/20 0.56
TUBB6 Q9BUF5 5/20 0.56
TUBB2B Q9BVA1 5/20 0.56
TUBB1 Q9H4B7 5/20 0.56
TUBA3C P0DPH7 3/20 0.56
TUBA1B P68363 3/20 0.56
TUBA4A P68366 3/20 0.56
TUBA3E Q6PEY2 3/20 0.56
TUBA1A Q71U36 3/20 0.56
TUBA1C Q9BQE3 3/20 0.56
CYP3A4 P08684 6/20 0.52
CYP2C9 P11712 4/20 0.52
CYP2C19 P33261 4/20 0.52
TUBB8B A6NNZ2 3/20 0.52
MEN1 O00255 2/20 0.52

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
Tritoqualine SCHEMBL29606368 0.91 TUBB4A (0.68) TUBB4ATUBBTUBB4BTUBB3TUBB2A
Tritoqualine SCHEMBL28974 0.91 TUBB4A (0.68) TUBB4ATUBBTUBB4BTUBB3TUBB2A
Tritoqualine SCHEMBL10076978 0.91 TUBB4A (0.68) TUBB4ATUBBTUBB4BTUBB3TUBB2A
Tritoqualine SCHEMBL14135610 0.91 TUBB4A (0.68) TUBB4ATUBBTUBB4BTUBB3TUBB2A
Tritoqualine SCHEMBL1627004 0.91 TUBB4A (0.68) TUBB4ATUBBTUBB4BTUBB3TUBB2A
Tritoqualine SCHEMBL16876635 0.90 TUBB4A (0.67) TUBB4ATUBBTUBB4BTUBB3TUBB2A
SCHEMBL2631317 0.89 TUBB4A (0.68) TUBB4ATUBBTUBB4BTUBB3TUBB2A
SCHEMBL10874025 0.88 TUBB4A (0.49) TUBB4ATUBBTUBB4BTUBB3TUBB2A
Tritoqualine SCHEMBL18037822 0.88 TUBB4A (0.64) TUBB4ATUBBTUBB4BTUBB3TUBB2A
Tritoqualine SCHEMBL18037823 0.87 TUBB4A (0.64) TUBB4ATUBBTUBB4BTUBB3TUBB2A

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-0201359-A2 Use of phthalide isoquinoline derivatives for treatments inhibiting the formation of lipid peroxides MITSUBISHI KASEI CORPORATION (JP) 1986-11-12 EP claimed