SCHEMBL11250818

SCHEMBL11250818

COc1ccc2c(c1OC)OC1(CCCC1)CC2NCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
KDM1A O60341 6/20 0.40
MAOA P21397 3/20 0.40
MAOB P27338 3/20 0.40
DRD2 P14416 1/20 0.39
KDM1B Q8NB78 1/20 0.38
BCHE P06276 4/20 0.38
ACHE P22303 4/20 0.38
BACE1 P56817 4/20 0.38
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL11291840 0.90 ALDH1A1 (0.41) KDM4EKDM1AMAOAMAOBBCHE
SCHEMBL11258364 0.89 DRD2 (0.42) KDM4EKDM1AMAOAMAOBDRD2
SCHEMBL11474467 0.88 KDM1A (0.43) KDM4EKDM1AMAOAMAOBKDM1B
SCHEMBL11474464 0.85 KDM4E (0.45) KDM4EKDM1AMAOAMAOBKDM1B
SCHEMBL11483314 0.85 KDM4E (0.45) KDM4EKDM1AMAOAMAOBKDM1B
SCHEMBL11259932 0.85 KDM4E (0.45) KDM4EKDM1AMAOAMAOBKDM1B
SCHEMBL11246927 0.81 BACE1 (0.42) KDM4EKDM1AMAOAMAOBDRD2
SCHEMBL11254474 0.78 KMT2A (0.42) KDM4EKDM1AMAOAMAOBMEN1
SCHEMBL11245385 0.77 ALDH1A1 (0.44) KDM4EKDM1AMAOAMAOBDRD2
SCHEMBL11245449 0.75 TRPV1 (0.45) BACE1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0001428-B1 INSECTICIDAL AND ACARICIDAL AGENTS CONTAINING CHROMAN DERIVATIVES, THEIR PREPARATION AND THEIR USE, AS WELL AS CHROMAN DERIVATIVES AND THEIR PREPARATION BAYER AG (DE) 1982-03-24 EP disclosed
US-4238501-A INSECTICIDES, MITICIDES, PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1980-12-09 US disclosed
US-4237162-A MITICIDES, LARVACIDES, INSECTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1980-12-02 US disclosed
US-4206151-A BRONCHODILATOR, ANTISECRETORY, HYPOTENSIVE AMERICAN CYANAMID COMPANY (US) 1980-06-03 US disclosed
EP-0001428-A1 Insecticidal and acaricidal agents containing chroman derivatives, their preparation and their use, as well as chroman derivatives and their preparation BAYER AG (DE) 1979-04-18 EP disclosed