SCHEMBL9527280

SCHEMBL9527280

CCCC(c1ccc(C(=O)OC)cc1OC)c1c[nH]c2ccc(CC3CCN(CCC)C3=O)cc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
B3GAT3 O94766 1/20 0.34
KDM2B Q8NHM5 1/20 0.34
RAB9A P51151 1/20 0.34
ADRA1B P35368 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
HTR7 P34969 1/20 0.33
HTR6 P50406 1/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 1/20 0.33
TUBB2A Q13885 1/20 0.33
TUBB8 Q3ZCM7 1/20 0.33
TUBA3E Q6PEY2 1/20 0.33
TUBA1A Q71U36 1/20 0.33
TUBA1C Q9BQE3 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
SCHEMBL9527214 0.95 HTR7 (0.34) B3GAT3RAB9AHCRTR1HCRTR2HTR7
SCHEMBL9527712 0.94 NPC1 (0.35) KDM2BRAB9A
SCHEMBL9528111 0.93 KDM2B (0.34) KDM2BADRA1BHTR7HTR6HTR4
SCHEMBL9527468 0.93 B3GAT3 (0.35) B3GAT3RAB9AADRA1B
SCHEMBL9527665 0.91 B3GAT3 (0.35) B3GAT3RAB9AHCRTR1HCRTR2HTR7
SCHEMBL9527749 0.90 HTR1D (0.35) B3GAT3KDM2BRAB9A
SCHEMBL9526771 0.89 NPC1 (0.34) KDM2BRAB9A
SCHEMBL9528145 0.87 KDM2B (0.35) KDM2BRAB9A
SCHEMBL9526686 0.86 NPC1 (0.36) RAB9A
SCHEMBL9526830 0.86 NPC1 (0.35) KDM2BRAB9A

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-0337767-B1 CYCLIC AMIDES ICI AMERICAS INC. (US) 1993-01-13 EP disclosed
US-5047402-A Leukotriene Antagonists ICI AMERICAS INC. (US) 1991-09-10 US disclosed
EP-0337767-A1 Cyclic amides ICI AMERICAS INC. (US) 1989-10-18 EP disclosed