SCHEMBL9739261

SCHEMBL9739261

COc1cc(Cc2ccc3[nH][c]cc3c2)cc(OC)c1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 8/20 0.57
TUBB P07437 8/20 0.57
TUBA3C P0DPH7 8/20 0.57
TUBA1B P68363 8/20 0.57
TUBA4A P68366 8/20 0.57
TUBB4B P68371 8/20 0.57
TUBB3 Q13509 8/20 0.57
TUBB2A Q13885 8/20 0.57
TUBB8 Q3ZCM7 8/20 0.57
TUBA3E Q6PEY2 8/20 0.57
TUBA1A Q71U36 8/20 0.57
TUBA1C Q9BQE3 8/20 0.57
TUBB6 Q9BUF5 8/20 0.57
TUBB2B Q9BVA1 8/20 0.57
TUBB1 Q9H4B7 8/20 0.57
CA2 P00918 1/20 0.46
ALDH1A1 P00352 1/20 0.42
PTGS2 P35354 1/20 0.42
CYP19A1 P11511 1/20 0.42
CALM1 P0DP23 1/20 0.40

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
SCHEMBL9741988 0.90 TUBB4A (0.52) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9742331 0.79 TUBB1 (0.58) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9739054 0.78 IDO1 (0.44) CA2CALM1
SCHEMBL9740472 0.78 GAA (0.59) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9739685 0.76 PDE10A (0.44) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8910416 0.75 PTGS2 (0.70) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9740073 0.74 TUBB4A (0.51) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9740060 0.73 TUBB4A (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9740017 0.73 DHFR (0.42) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL29066052 0.73 TUBB1 (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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-5175157-A Cardiovascular disorders BOEHRINGER INGELHEIM GMBH (DE) 1992-12-29 US disclosed