SCHEMBL8628488

SCHEMBL8628488

Cc1cc(-c2ncco2)ccc1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.51
LTA4H P09960 1/20 0.50
ESR2 Q92731 1/20 0.45
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
ENPP3 O14638 1/20 0.42
ENPP1 P22413 1/20 0.42
EDNRB P24530 6/20 0.41
EDNRA P25101 6/20 0.41
IMPDH2 P12268 1/20 0.40
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
IL2 P60568 1/20 0.39
HDAC4 P56524 1/20 0.39
HPGD P15428 1/20 0.39
P2RX7 Q99572 1/20 0.39
BRD4 O60885 1/20 0.38

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
SCHEMBL27448711 0.88 HPGDS (0.47) HPGDSLTA4HESR2PDE3BPDE3A
SCHEMBL18930006 0.80 NPC1 (0.46) HPGDSLTA4HCCNCCDK8IL2
SCHEMBL942521 0.78 HPGDS (0.47) HPGDSLTA4HEDNRBEDNRAIMPDH2
SCHEMBL7129733 0.78 HPGDS (0.50) HPGDSLTA4HIMPDH2HDAC4HPGD
SCHEMBL5027378 0.77 IL2 (0.44) HPGDSLTA4HEDNRBEDNRAIMPDH2
SCHEMBL5571760 0.77 LTA4H (0.70) HPGDSLTA4HEDNRBEDNRAHDAC4
SCHEMBL301469 0.77 HPGDS (0.71) HPGDSLTA4HEDNRBEDNRAHDAC4
SCHEMBL2152660 0.76 HPGDS (0.61) HPGDSLTA4HHDAC4
Toluene SCHEMBL28904988 0.76 HPGDS (0.61) HPGDSLTA4HEDNRBEDNRAHDAC4
SCHEMBL16159830 0.76 LTA4H (0.59) HPGDSLTA4HENPP3ENPP1EDNRB

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-5716855-A WITH TWO ENCAPSULATED HYDROPHOBIC CHROMOGENS SELECTED SO THAT THE EMISSIONS OF ONE (WHEN EXPOSED TO LIGHT) WILL ACTIVATE THE OTHER, FOR BIOLOGICAL MARKERS SOCIETE PROLABO (FR) 1998-02-10 US disclosed