SCHEMBL9739295

SCHEMBL9739295

COc1ccc2[nH]c[c]c2c1OC

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 4/20 0.33
TUBB P07437 4/20 0.33
TUBA3C P0DPH7 4/20 0.33
TUBA1B P68363 4/20 0.33
TUBA4A P68366 4/20 0.33
TUBB4B P68371 4/20 0.33
TUBB3 Q13509 4/20 0.33
TUBB2A Q13885 4/20 0.33
TUBB8 Q3ZCM7 4/20 0.33
TUBA3E Q6PEY2 4/20 0.33
TUBA1A Q71U36 4/20 0.33
TUBA1C Q9BQE3 4/20 0.33
TUBB6 Q9BUF5 4/20 0.33
TUBB2B Q9BVA1 4/20 0.33
TUBB1 Q9H4B7 4/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2C P18825 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33

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
SCHEMBL1969418 0.81 KDM4E (0.34) MAPTKDM4E
SCHEMBL1539241 0.76 CA1 (0.39) MAPTTDP1CA1CA2CA4
SCHEMBL9740698 0.71 KDM4E (0.37) MAPTTDP1CA1CA2CA4
SCHEMBL9741890 0.70 CYP19A1 (0.38) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL9739018 0.69 TUBB4A (0.43) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL30701949 0.67 CA9 (0.50) MAPTTDP1CA1CA2CA4
SCHEMBL3674074 0.67 CA9 (0.50) MAPTTDP1CA1CA2CA4
SCHEMBL2085433 0.65 TUBB4A (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL38660362 0.65 TUBB4A (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9739550 0.64 CYP19A1 (0.36) MAPTTDP1CA1CA2CA4

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