SCHEMBL7438265

SCHEMBL7438265

COc1cc(CCc2c(CC#N)ccc(OC)c2OC)cc(OC)c1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 4/20 0.48
TUBB P07437 4/20 0.48
TUBA3C P0DPH7 4/20 0.48
TUBA1B P68363 4/20 0.48
TUBA4A P68366 4/20 0.48
TUBB4B P68371 4/20 0.48
TUBB3 Q13509 4/20 0.48
TUBB2A Q13885 4/20 0.48
TUBB8 Q3ZCM7 4/20 0.48
TUBA3E Q6PEY2 4/20 0.48
TUBA1A Q71U36 4/20 0.48
TUBA1C Q9BQE3 4/20 0.48
TUBB6 Q9BUF5 4/20 0.48
TUBB2B Q9BVA1 4/20 0.48
TUBB1 Q9H4B7 4/20 0.48
CYP19A1 P11511 1/20 0.47
ABCB1 P08183 5/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 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
SCHEMBL7285836 0.89 KDM4E (0.48) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7279399 0.86 SLC2A1 (0.49) ABCB1SLC2A1
SCHEMBL7433650 0.85 KDM4E (0.50) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7286452 0.83 SLC2A1 (0.45) ABCB1SLC2A1
SCHEMBL7283720 0.83 SLC2A1 (0.58) ABCB1SLC2A1
SCHEMBL7283185 0.82 AOC3 (0.39) AOC3SLC2A1
SCHEMBL7285255 0.82 SLC2A1 (0.47) ABCB1HTR2AHTR2CHTR2BSLC2A1
SCHEMBL10648349 0.82 AOC3 (0.39) AOC3SLC2A1
SCHEMBL7442211 0.81 TUBB4A (0.55) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7282349 0.80 ALOX5 (0.40) AOC3PTGS2SLC2A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0292202-B1 2-(3,4-DIHYDROXYPHENYL ETHYL AMINES, THEIR PREPARATION AND USE AS PHARMACEUTICAL COMPOUNDS FISONS plc (GB) 1992-09-02 EP disclosed
US-4939147-A Substituted 3,4-dihydroxy phenylethylamino compounds FISONS PLC. (GB) 1990-07-03 US disclosed
US-4922022-A Substituted 3,4-dihydroxy phenylethylamino compounds FISONS PLC (GB) 1990-05-01 US disclosed
EP-0314725-A1 2-(3,4-DIHYDROXYPHENYL)ETHYLAMINES, THEIR PREPARATION AND USE AS PHARMACEUTICAL FISONS plc (GB) 1989-05-10 EP disclosed
WO-1988009326-A1 2-(3,4-DIHYDROXYPHENYL)ETHYLAMINES, THEIR PREPARATION AND USE AS PHARMACEUTICAL FISONS PLC (GB) 1988-12-01 WO disclosed
EP-0292202-A1 2-(3,4-Dihydroxyphenyl ethyl amines, their preparation and use as pharmaceutical compounds FISONS plc (GB) 1988-11-23 EP disclosed