SCHEMBL12337064

SCHEMBL12337064

COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@@]1(I)c2c(c(Br)c3c(c2CO)OCO3)CCN1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 7/20 0.56
TUBB P07437 7/20 0.56
TUBB4B P68371 7/20 0.56
TUBB3 Q13509 7/20 0.56
TUBB2A Q13885 7/20 0.56
TUBB8 Q3ZCM7 7/20 0.56
TUBB6 Q9BUF5 7/20 0.56
TUBB2B Q9BVA1 7/20 0.56
TUBB1 Q9H4B7 7/20 0.56
TUBA3C P0DPH7 4/20 0.56
TUBA1B P68363 4/20 0.56
TUBA4A P68366 4/20 0.56
TUBA3E Q6PEY2 4/20 0.56
TUBA1A Q71U36 4/20 0.56
TUBA1C Q9BQE3 4/20 0.56
TUBB8B A6NNZ2 4/20 0.45
CYP3A4 P08684 5/20 0.44
CYP2C9 P11712 3/20 0.44
CYP2C19 P33261 3/20 0.44
CYP1A2 P05177 2/20 0.44

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
SCHEMBL12337063 0.84 CYP3A4 (0.55) TUBB4ATUBBTUBB4BTUBB3TUBB2A
SCHEMBL14713710 0.80 TUBB4A (0.81) TUBB4ATUBBTUBB4BTUBB3TUBB2A
SCHEMBL13394635 0.78 CYP3A4 (0.61) TUBB4ATUBBTUBB4BTUBB3TUBB2A
SCHEMBL682179 0.74 TUBB4A (0.78) TUBB4ATUBBTUBB4BTUBB3TUBB2A
SCHEMBL682471 0.74 TUBB4A (0.69) TUBB4ATUBBTUBB4BTUBB3TUBB2A
SCHEMBL681526 0.73 TUBB4A (0.68) TUBB4ATUBBTUBB4BTUBB3TUBB2A
SCHEMBL10073422 0.73 TUBB4A (0.70) TUBB4ATUBBTUBB4BTUBB3TUBB2A
SCHEMBL681552 0.73 TUBB4A (0.70) TUBB4ATUBBTUBB4BTUBB3TUBB2A
SCHEMBL7607290 0.73 TUBB4A (0.63) TUBB4ATUBBTUBB4BTUBB3TUBB2A
SCHEMBL682432 0.73 TUBB4A (0.81) 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
WO-2011109237-A2 USES OF NOSCAPINE AND DERIVATIVES IN SUBJECTS DIAGNOSED WITH FAP EMORY UNIVERSITY (US) 2011-09-09 WO disclosed