SCHEMBL8502139

SCHEMBL8502139

COc1ccc(C2=CCCCC2=O)c(OC)c1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
HDAC4 P56524 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
TUBB4A P04350 2/20 0.41
TUBB P07437 2/20 0.41
TUBA3C P0DPH7 2/20 0.41
TUBA1B P68363 2/20 0.41
TUBA4A P68366 2/20 0.41
TUBB4B P68371 2/20 0.41
TUBB3 Q13509 2/20 0.41
TUBB2A Q13885 2/20 0.41
TUBB8 Q3ZCM7 2/20 0.41
TUBA3E Q6PEY2 2/20 0.41
TUBA1A Q71U36 2/20 0.41
TUBA1C Q9BQE3 2/20 0.41

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
SCHEMBL557441 0.73 PSMB5 (0.52) KDM4EALDH1A1HPGDHDAC4HDAC2
SCHEMBL8505494 0.72 PSMB5 (0.51) KDM4EALDH1A1HPGDHDAC4HDAC2
SCHEMBL9380807 0.72 PTGS2 (0.54) KDM4EALDH1A1HPGDHDAC4HDAC2
SCHEMBL6112770 0.71 ALDH1A1 (0.81) KDM4EALDH1A1HPGDHDAC4HDAC2
SCHEMBL611321 0.71 ALDH1A1 (0.81) KDM4EALDH1A1HPGDCRHBPCRHR2
SCHEMBL1274675 0.71 ALDH1A1 (0.81) KDM4EALDH1A1HPGDHDAC4HDAC2
SCHEMBL642228 0.70 HDAC4 (0.58) KDM4EALDH1A1HPGDHDAC4HDAC2
SCHEMBL6113102 0.70 KDM4E (0.47) KDM4EALDH1A1HPGDACHE
SCHEMBL7450660 0.68 KDM4E (0.53) KDM4EALDH1A1HPGDCRHBPCRHR2
SCHEMBL8607855 0.68 BACE1 (0.50) KDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5866513-A Aryl-substituted cycloalkanes and cycloalkenes and herbicidal use thereof ROHM AND HAAS COMPANY (US) 1999-02-02 US disclosed
EP-0768298-A1 Aryl-substituted cycloalkanes and cycloalkenes and herbicidal use thereof ROHM AND HAAS COMPANY (US) 1997-04-16 EP disclosed