SCHEMBL9528111

SCHEMBL9528111

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

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 1/20 0.34
HPGD P15428 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HTR7 P34969 1/20 0.33
HTR6 P50406 1/20 0.33
HTR4 Q13639 1/20 0.33
GPR84 Q9NQS5 1/20 0.33
HTR1A P08908 1/20 0.32
CCR2 P41597 1/20 0.32
ADRA1B P35368 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL9528145 0.94 KDM2B (0.35) KDM2BGPR84KMT2A
SCHEMBL9527280 0.93 B3GAT3 (0.34) KDM2BHTR7HTR6HTR4ADRA1B
SCHEMBL9527214 0.90 HTR7 (0.34) HPGDALDH1A1HTR7HTR6GPR84
SCHEMBL9527468 0.89 B3GAT3 (0.35) HTR1ACCR2ADRA1B
SCHEMBL9527712 0.87 NPC1 (0.35) KDM2BGPR84HTR1A
SCHEMBL9527749 0.86 HTR1D (0.35) KDM2BHPGDALDH1A1
SCHEMBL9528072 0.85 MEN1 (0.39) KMT2A
SCHEMBL9527665 0.84 B3GAT3 (0.35) HPGDHTR7HTR6HTR4GPR84
SCHEMBL9526771 0.83 NPC1 (0.34) KDM2BHPGDALDH1A1GPR84KDM4E
SCHEMBL9526686 0.82 NPC1 (0.36) ALDH1A1GPR84

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