SCHEMBL8401504

SCHEMBL8401504

CCCc1cc(=O)n(C(=O)OC(C)(C)C)c2cc(OC)ccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.42
PDE10A Q9Y233 1/20 0.38
MTNR1A P48039 2/20 0.36
BACE1 P56817 1/20 0.36
DYRK1A Q13627 1/20 0.36
HTR6 P50406 1/20 0.36
EPHX2 P34913 1/20 0.36
HSD17B3 P37058 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LCK P06239 1/20 0.36
AKR1C3 P42330 1/20 0.35
MTNR1B P49286 1/20 0.35
NR1H2 P55055 1/20 0.35
KDM1A O60341 1/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35

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
SCHEMBL19785404 0.80 ALDH1A1 (0.45) CNR2DYRK1ANR1H2
SCHEMBL16727065 0.71 L3MBTL1 (0.50) CNR2PDE10AMTNR1ADYRK1AHTR6
SCHEMBL16727069 0.71 L3MBTL1 (0.46) CNR2PDE10AMTNR1ADYRK1AHTR6
SCHEMBL8132380 0.70 ALDH1A1 (0.42) CNR2PDE10AMTNR1AKDM4EMTNR1B
SCHEMBL16421935 0.69 MAOA (0.46) CNR2DYRK1A
SCHEMBL6300235 0.69 NR1H2 (0.41) CNR2EPHX2KDM4EAKR1C3NR1H2
SCHEMBL31026613 0.69 NR1H2 (0.42) CNR2KDM4EAKR1C3NR1H2
SCHEMBL979540 0.68 KDM4E (0.44) CNR2DYRK1AKDM4ENR1H2
SCHEMBL16421934 0.68 DYRK1A (0.61) DYRK1A
SCHEMBL15778086 0.68 L3MBTL1 (0.44) CNR2PDE10AMTNR1ADYRK1AHTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5994544-A PRODUCING A 5H-CHROMENO(3,4-F)QUINOLINE LIGAND PHARMACEUTICALS INCORPORATED (US) 1999-11-30 US disclosed