SCHEMBL29968024

SCHEMBL29968024

COc1csc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 2/20 0.51
TUBB P07437 2/20 0.51
TUBA3C P0DPH7 2/20 0.51
TUBA1B P68363 2/20 0.51
TUBA4A P68366 2/20 0.51
TUBB4B P68371 2/20 0.51
TUBB3 Q13509 2/20 0.51
TUBB2A Q13885 2/20 0.51
TUBB8 Q3ZCM7 2/20 0.51
TUBA3E Q6PEY2 2/20 0.51
TUBA1A Q71U36 2/20 0.51
TUBA1C Q9BQE3 2/20 0.51
TUBB6 Q9BUF5 2/20 0.51
TUBB2B Q9BVA1 2/20 0.51
TUBB1 Q9H4B7 2/20 0.51
MAPT P10636 6/20 0.49
TP53 P04637 2/20 0.49
ERN1 O75460 1/20 0.46
CYP2A6 P11509 3/20 0.45
CA12 O43570 1/20 0.44

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
SCHEMBL6597264 1.00 TUBB4A (0.51) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Butyric Acid SCHEMBL11199686 0.82 LMNA (0.45) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6594759 0.81 LTA4H (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Ethyl Acetate SCHEMBL11199695 0.81 MAPT (0.44) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL32681759 0.78 CYP2A6 (0.45) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7245911 0.78 MAPT (0.44) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7032384 0.76 PKM (0.53) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL24792264 0.75 CYP2A6 (0.42) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL30065511 0.75 CYP2A6 (0.42) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5440973 0.75 MAPT (0.42) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116715684-A Monovalent currency metal complex and preparation and application thereof 武汉大学 2023-09-08 CN disclosed
CN-109206417-B Opioid receptor agonists and uses thereof 四川海思科制药有限公司 2023-01-03 CN disclosed
CN-115124520-A Opioid receptor agonists and uses thereof 四川海思科制药有限公司 2022-09-30 CN disclosed