SCHEMBL7433650

SCHEMBL7433650

COc1ccc(CCc2c(CC#N)ccc(OC)c2OC)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
TUBB4A P04350 1/20 0.50
TUBB P07437 1/20 0.50
TUBA3C P0DPH7 1/20 0.50
TUBA1B P68363 1/20 0.50
TUBA4A P68366 1/20 0.50
TUBB4B P68371 1/20 0.50
TUBB3 Q13509 1/20 0.50
TUBB2A Q13885 1/20 0.50
TUBB8 Q3ZCM7 1/20 0.50
TUBA3E Q6PEY2 1/20 0.50
TUBA1A Q71U36 1/20 0.50
TUBA1C Q9BQE3 1/20 0.50
TUBB6 Q9BUF5 1/20 0.50
TUBB2B Q9BVA1 1/20 0.50
TUBB1 Q9H4B7 1/20 0.50
ALDH1A1 P00352 1/20 0.50
SLC2A1 P11166 2/20 0.43
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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 0.88 KDM4E (0.48) KDM4ETUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7279399 0.88 SLC2A1 (0.49) SLC2A1SMN1; SMN2ABCB1
SCHEMBL7438265 0.85 TUBB4A (0.48) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7283720 0.85 SLC2A1 (0.58) SLC2A1TAAR1SIGMAR1ABCB1HRH3
SCHEMBL7272748 0.82 KDM4E (0.57) KDM4ETUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7434318 0.82 TUBB4A (0.44) KDM4ETUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7283185 0.81 AOC3 (0.39) KDM4EALDH1A1SLC2A1TSHRSMN1; SMN2
SCHEMBL10648349 0.81 AOC3 (0.39) KDM4EALDH1A1SLC2A1TSHRSMN1; SMN2
SCHEMBL7286452 0.80 SLC2A1 (0.45) KDM4EALDH1A1SLC2A1TAAR1TSHR
Hydrochloric Acid SCHEMBL7281770 0.80 TAAR1 (0.54) KDM4ETUBB4ATUBBTUBA3CTUBA1B

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 9 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
US-4885313-A 3,4-Dihydroxyphenylethylamine derivatives and their use FISONS PLC (GB) 1989-12-05 US disclosed
EP-0314725-A1 2-(3,4-DIHYDROXYPHENYL)ETHYLAMINES, THEIR PREPARATION AND USE AS PHARMACEUTICAL FISONS plc (GB) 1989-05-10 EP disclosed
US-4803225-A Dihydroxy-phenethylamino compounds useful as pharmaceuticals FISONS, PLC (GB) 1989-02-07 US 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
US-4720586-A Substituted 3,4-dihydroxy-phenylethylamino compounds FISONS, PLC (GB) 1988-01-19 US disclosed