SCHEMBL16093825

SCHEMBL16093825

CCCn1c2ccc(CC=O)cc2c2c(OC)cccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 2/20 0.41
▸ RORA P35398 1/20 0.41
▸ RORC P51449 1/20 0.41
▸ RORB Q92753 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ CCR2 P41597 1/20 0.39
▸ PTGER4 P35408 2/20 0.39
▸ MTNR1A P48039 2/20 0.39
▸ MTNR1B P49286 2/20 0.39
▸ TSPO P30536 2/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ HASPIN Q8TF76 1/20 0.36
▸ DYRK2 Q92630 1/20 0.36

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
SCHEMBL16099114 0.83 ALDH1A1 (0.42) PGRRORARORCRORBALDH1A1
SCHEMBL16104960 0.83 PTGER4 (0.57) PGRRORARORCRORBALDH1A1
SCHEMBL16093698 0.79 ALDH1A1 (0.58) PGRRORARORCRORBALDH1A1
SCHEMBL16093794 0.79 CNR2 (0.48) PGRALDH1A1HPGDNPSR1MAPT
SCHEMBL16099757 0.79 PTGER4 (0.54) PGRRORARORCRORBALDH1A1
SCHEMBL16093823 0.79 HPGD (0.52) PGRRORARORCRORBALDH1A1
SCHEMBL30213423 0.75 KCNA3 (0.49) PGRRORARORCRORBALDH1A1
SCHEMBL16097572 0.73 ALDH1A1 (0.44) PGRRORARORCRORBALDH1A1
SCHEMBL16093752 0.73 HPGD (0.44) PGRRORARORCRORBALDH1A1
SCHEMBL16099561 0.73 KDM4E (0.47) PGRRORARORCRORBALDH1A1

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
WO-2014153043-A1 COMPOUNDS AND METHODS FOR TREATING CANCERS HEALTH RESEARCH, INC. (US) 2014-09-25 — — WO disclosed
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