SCHEMBL11254166

SCHEMBL11254166

COc1ccc2c(c1OC)OC1(CCCC1)CC2N(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.35
PDE4A P27815 7/20 0.33
PDE4B Q07343 7/20 0.33
PDE4C Q08493 7/20 0.33
PDE4D Q08499 7/20 0.33
OPRM1 P35372 3/20 0.33
OPRK1 P41145 1/20 0.33
KDM4E B2RXH2 2/20 0.32
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 1/20 0.32
TUBB4B P68371 1/20 0.32
TUBB3 Q13509 1/20 0.32
TUBB2A Q13885 1/20 0.32
TUBB8 Q3ZCM7 1/20 0.32
TUBA3E Q6PEY2 1/20 0.32
TUBA1A Q71U36 1/20 0.32
TUBA1C Q9BQE3 1/20 0.32

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
SCHEMBL11248045 0.86 ALDH1A1 (0.42) PDE4APDE4BPDE4CPDE4DSLC6A2
SCHEMBL11289402 0.77 C5AR1 (0.43) SLC6A4
SCHEMBL11475234 0.76 C5AR1 (0.30) OPRM1OPRK1
SCHEMBL11250818 0.72 KDM4E (0.41) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL11238574 0.72 MEN1 (0.40) OPRM1OPRK1KDM4ESLC6A2SLC6A4
SCHEMBL11291840 0.71 ALDH1A1 (0.41) LMNAPDE4APDE4BPDE4CPDE4D
SCHEMBL11239354 0.69 HTR2B (0.36) KDM4ESLC6A2SLC6A4MAPTSMN1; SMN2
SCHEMBL11483314 0.69 KDM4E (0.45) KDM4ECYP3A4MAPT
SCHEMBL11474464 0.69 KDM4E (0.45) KDM4ECYP3A4MAPT
SCHEMBL11259932 0.69 KDM4E (0.45) KDM4ECYP3A4MAPT

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 4 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
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