SCHEMBL1401573

SCHEMBL1401573

COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1[C@@H](NC(=O)Oc1cccc(CO[N+](=O)[O-])n1)CC2

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 12/20 0.62
TUBB4A P04350 11/20 0.62
TUBB P07437 11/20 0.62
TUBA3C P0DPH7 11/20 0.62
TUBA1B P68363 11/20 0.62
TUBA4A P68366 11/20 0.62
TUBB4B P68371 11/20 0.62
TUBB3 Q13509 11/20 0.62
TUBB2A Q13885 11/20 0.62
TUBB8 Q3ZCM7 11/20 0.62
TUBA3E Q6PEY2 11/20 0.62
TUBA1A Q71U36 11/20 0.62
TUBA1C Q9BQE3 11/20 0.62
TUBB6 Q9BUF5 11/20 0.62
TUBB2B Q9BVA1 11/20 0.62

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
SCHEMBL1401446 0.89 TUBB4A (0.68) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL1401581 0.85 TUBB1 (0.65) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL1401779 0.85 TUBB1 (0.64) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL1401568 0.84 TUBB4A (0.66) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL1401579 0.84 TUBB1 (0.63) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL1401580 0.84 TUBB1 (0.63) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL1401443 0.83 TUBB4A (0.73) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL13622251 0.82 TUBB4A (0.69) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL1401524 0.82 TUBB4A (0.63) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL1401518 0.81 TUBB4A (0.76) TUBB1TUBB4ATUBBTUBA3CTUBA1B

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-1646608-B1 TRICYCLIC DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, THEIR PREPARATIONS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM JE IL PHARMACEUTICAL CO LTD (KR) 2011-03-02 EP claimed