SCHEMBL6837517

SCHEMBL6837517

COc1ccc(C=O)c2cc(C(=O)N3CCCCC3)oc12

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.47
RAB9A P51151 8/20 0.47
HPGD P15428 6/20 0.47
ALDH1A1 P00352 6/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 2/20 0.47
TP53 P04637 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ADRA2A P08913 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47
POLB P06746 1/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL6837960 0.99 ADRA2A (0.47) NPC1RAB9AHPGDALDH1A1SMN1; SMN2
SCHEMBL6837776 0.90 ERN1 (0.50) NPC1RAB9AHPGDALDH1A1KDM4E
SCHEMBL6837533 0.80 PDE4A (0.49) NPC1RAB9AHPGDALDH1A1SMN1; SMN2
SCHEMBL6836451 0.80 ADRA2A (0.63) NPC1RAB9AHPGDALDH1A1KDM4E
SCHEMBL6838163 0.80 ADRA2A (0.63) NPC1RAB9AHPGDALDH1A1KDM4E
SCHEMBL6836705 0.79 ADRA2A (0.54) NPC1RAB9AHPGDALDH1A1SMN1; SMN2
SCHEMBL7055204 0.79 LMNA (0.48) ALDH1A1KDM4EKMT2A
SCHEMBL6833377 0.79 ADRA2A (0.55) NPC1RAB9AHPGDALDH1A1SMN1; SMN2
SCHEMBL6836417 0.78 ADRA2A (0.46) NPC1RAB9AHPGDALDH1A1SMN1; SMN2
SCHEMBL6837790 0.78 ADRA2A (0.54) NPC1RAB9AHPGDHSD17B10ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6716987-B1 PHOSPHODIESTERASE IV INHIBITORS KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-04-06 US disclosed
US-6514996-B2 Derivatives of benzofuran or benzodioxole KYOWA HAKKO KOGYO CO., LTD. (JP) 2003-02-04 US disclosed