SCHEMBL28813401

SCHEMBL28813401

CCn1c2ccc(C(C)(C)C)cc2c(=O)c2cc3c(cc21)c(=O)c1cc(C(C)(C)C)ccc1n3CC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 3/20 0.51
RORA P35398 2/20 0.51
RORC P51449 2/20 0.51
RORB Q92753 2/20 0.51
ALDH1A1 P00352 3/20 0.50
DNMT1 P26358 3/20 0.44
KDM4E B2RXH2 4/20 0.43
HPGD P15428 3/20 0.43
HSD17B10 Q99714 2/20 0.43
TSHR P16473 1/20 0.43
PTGES2 Q9H7Z7 1/20 0.41
MEN1 O00255 4/20 0.41
MAPT P10636 4/20 0.41
KMT2A Q03164 4/20 0.41
HTT P42858 2/20 0.41
MAPK1 P28482 1/20 0.41
HBB P68871 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
PTGER4 P35408 2/20 0.40

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
SCHEMBL25752337 0.90 ALDH1A1 (0.50) PGRRORARORCRORBALDH1A1
SCHEMBL30849654 0.88 PGR (0.53) PGRRORARORCRORBALDH1A1
SCHEMBL26144555 0.88 PGR (0.53) PGRRORARORCRORBALDH1A1
SCHEMBL14280407 0.81 RORA (0.71) PGRRORARORCRORBALDH1A1
SCHEMBL2600054 0.80 MAPT (0.63) PGRRORARORCRORBALDH1A1
SCHEMBL13026402 0.80 RORC (0.47) PGRRORARORCRORBALDH1A1
SCHEMBL24113754 0.79 KDM4E (0.43) PGRRORARORCRORBALDH1A1
SCHEMBL25752338 0.78 ALDH1A1 (0.46) PGRRORARORCRORBALDH1A1
SCHEMBL16819096 0.77 PGR (0.45) PGRRORARORCRORBALDH1A1
SCHEMBL21782594 0.76 KDM4E (0.45) 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
CN-114605405-A Quinacridone skeleton-based cell lipid drop fluorescence imaging probe and application thereof 吉林大学 2022-06-10 CN disclosed