SCHEMBL28130686

SCHEMBL28130686

COc1cc(CCCCO)ccc1OC1CCCC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.64
HDAC1 Q13547 1/20 0.52
HDAC2 Q92769 1/20 0.52
PDE4B Q07343 6/20 0.48
TUBB4A P04350 1/20 0.45
TUBB P07437 1/20 0.45
TUBA3C P0DPH7 1/20 0.45
TUBA1B P68363 1/20 0.45
TUBA4A P68366 1/20 0.45
TUBB4B P68371 1/20 0.45
TUBB3 Q13509 1/20 0.45
TUBB2A Q13885 1/20 0.45
TUBB8 Q3ZCM7 1/20 0.45
TUBA3E Q6PEY2 1/20 0.45
TUBA1A Q71U36 1/20 0.45
TUBA1C Q9BQE3 1/20 0.45
TUBB6 Q9BUF5 1/20 0.45
TUBB2B Q9BVA1 1/20 0.45
TUBB1 Q9H4B7 1/20 0.45
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL7324666 0.90 RECQL (0.58) RECQLHDAC1HDAC2PDE4BPOLB
SCHEMBL5610571 0.85 RECQL (0.61) RECQLHDAC1HDAC2PDE4BPOLB
SCHEMBL134754 0.84 RECQL (0.67) RECQLHDAC1HDAC2PDE4BPOLB
SCHEMBL4860600 0.82 KDM4E (0.61) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL21255817 0.82 KDM4E (0.66) RECQLHDAC1HDAC2PDE4BKDM4E
SCHEMBL9506664 0.81 KDM4E (0.59) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7184663 0.81 KDM4E (0.59) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2802611 0.81 KDM4E (0.59) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Hydrochloric Acid SCHEMBL7355268 0.81 KDM4E (0.64) RECQLHDAC1HDAC2PDE4BKDM4E
SCHEMBL7333965 0.81 PDE4B (0.56) RECQLPDE4BMEN1KMT2APDE4A

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
CN-106565743-B One kind is containing tetrahydroisoquinoline and carbamate compound and its preparation method and application 华南农业大学 2018-06-19 CN disclosed
CN-106565743-A Tetrahydroisoquinoline and carbamate containing compound, preparation method therefor and application of compound 华南农业大学 2017-04-19 CN disclosed