SCHEMBL17854681

SCHEMBL17854681

CCCn1c2ccccc2c2ccc(-c3ccc4c5ccccc5n(CCC)c4c3)cc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
HPGD P15428 2/20 0.55
KDM4E B2RXH2 2/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 2/20 0.47
MAPK1 P28482 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
USP2 O75604 1/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
CNR2 P34972 1/20 0.47
PGR P06401 2/20 0.46
RORA P35398 1/20 0.46
RORC P51449 1/20 0.46
RORB Q92753 1/20 0.46
PSEN1 P49768 7/20 0.46

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
SCHEMBL17854677 0.95 HPGD (0.58) ALDH1A1HPGDKDM4EGAAMAPT
SCHEMBL17854676 0.89 HPGD (0.63) ALDH1A1HPGDKDM4EGAAMAPT
SCHEMBL153959 0.87 ALDH1A1 (0.62) ALDH1A1HPGDKDM4EGAAMAPT
SCHEMBL30012682 0.87 ALDH1A1 (0.62) ALDH1A1HPGDKDM4EGAAMAPT
SCHEMBL30854944 0.87 ALDH1A1 (0.62) ALDH1A1HPGDKDM4EGAAMAPT
SCHEMBL13086911 0.86 HPGD (0.60) ALDH1A1HPGDKDM4EGAAMAPT
SCHEMBL18596339 0.86 ALDH1A1 (0.47) ALDH1A1HPGDKDM4EGAAMAPT
SCHEMBL5999686 0.85 KDM4E (0.59) ALDH1A1HPGDKDM4EMAPTMAPK1
SCHEMBL17461832 0.85 HPGD (0.62) ALDH1A1HPGDKDM4EGAAMAPT
SCHEMBL29101964 0.85 ALDH1A1 (0.60) ALDH1A1HPGDKDM4EGAAMAPT

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-20160181524-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-06-23 US disclosed