SCHEMBL6351807

SCHEMBL6351807

CC(C)CCn1c2ccccc2c2cc(CC=O)ccc21

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.67
MAPT P10636 2/20 0.67
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 2/20 0.47
HPGD P15428 2/20 0.47
PTGER4 P35408 1/20 0.46
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
CNR2 P34972 2/20 0.42
FDFT1 P37268 2/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
RORC P51449 2/20 0.40
PGR P06401 2/20 0.40
RORA P35398 1/20 0.40
RORB Q92753 1/20 0.40
NPY5R Q15761 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL16099248 0.86 POLB (0.51) POLBMAPTALDH1A1KDM4EHPGD
SCHEMBL16099545 0.86 MAPT (0.51) POLBMAPTALDH1A1KDM4EHPGD
SCHEMBL16093698 0.85 ALDH1A1 (0.58) POLBMAPTALDH1A1KDM4EHPGD
SCHEMBL16099079 0.81 KDM4E (0.50) POLBMAPTALDH1A1KDM4EHPGD
SCHEMBL25733860 0.81 ALDH1A1 (0.61) POLBMAPTALDH1A1KDM4ELMNA
SCHEMBL29574988 0.81 ALDH1A1 (0.61) POLBMAPTALDH1A1KDM4ELMNA
SCHEMBL4726731 0.80 KMT2A (0.54) POLBMAPTALDH1A1KDM4EHPGD
SCHEMBL27587565 0.80 MAPT (0.56) POLBMAPTALDH1A1KDM4EHPGD
SCHEMBL4692026 0.76 ALDH1A1 (0.76) POLBMAPTALDH1A1KDM4EHPGD
SCHEMBL27587564 0.76 MAPT (0.64) POLBMAPTALDH1A1KDM4EHPGD

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-20050112490-A1 Electrophotographic organophotoreceptors with novel charge transport compounds SAMSUNG ELECTRONICS CO., LTD. 2005-05-26 US disclosed