SCHEMBL8029428

SCHEMBL8029428

CCCC#COc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.38
TP53 P04637 1/20 0.36
CA4 P22748 1/20 0.36
PTGS2 P35354 2/20 0.33
TSHR P16473 1/20 0.33
LMNA P02545 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
KCNA3 P22001 1/20 0.33
TLR8 Q9NR97 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL4709806 0.85 KCNH2 (0.44) LTA4HTSHRLMNAKCNH2
SCHEMBL31544590 0.85 KCNH2 (0.44) LTA4HTSHRLMNAKCNH2
SCHEMBL10534542 0.83 CHRNB2 (0.39) LTA4HTP53CA4TSHRCHRNB2
SCHEMBL5704170 0.78 MEN1 (0.34) LTA4HCA4TSHRKCNA3
SCHEMBL11139403 0.74 NR5A1 (0.54) LTA4HTP53TSHRLMNA
SCHEMBL9155898 0.74 TAAR1 (0.37) LTA4HCA4TSHRLMNAKCNA3
SCHEMBL6558970 0.74 KCNA3 (0.41) LTA4HCA4TSHRLMNAKCNA3
SCHEMBL5919330 0.74 CYP1A2 (0.46) LTA4HTSHRKCNA3
SCHEMBL9421959 0.74 LTA4H (0.50) LTA4HCA4TSHRLMNAKCNA3
SCHEMBL6572639 0.72 LTA4H (0.42) LTA4HTP53CA4TSHRLMNA

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
EP-0656008-B1 THROMBIN RECEPTOR ANTAGONISTS COR THERAPEUTICS INC (US) 2000-03-15 EP claimed
CN-106243073-B A kind of 2-H 1-benzopyran derivatives and its synthetic method 华南理工大学 2018-09-14 CN disclosed
CN-106243073-A A kind of 2 H 1-benzopyran derivatives and synthetic methods thereof 华南理工大学 2016-12-21 CN disclosed