SCHEMBL14280393

SCHEMBL14280393

CCCc1ccc2c(c1)c(=O)c1ccccc1n2CCC

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
RORC P51449 3/20 0.51
RORA P35398 2/20 0.51
RORB Q92753 2/20 0.51
HPGD P15428 2/20 0.50
P2RX4 Q99571 3/20 0.49
PGR P06401 3/20 0.48
SLC6A4 P31645 2/20 0.47
SLC6A2 P23975 1/20 0.47
HRH1 P35367 1/20 0.47
NPC1 O15118 1/20 0.46
KDM4E B2RXH2 3/20 0.44
LMNA P02545 2/20 0.44
POLB P06746 2/20 0.44
HSD17B10 Q99714 1/20 0.44
GAA P10253 1/20 0.44
CNR2 P34972 3/20 0.43
MAPK1 P28482 1/20 0.43
MARK4 Q96L34 1/20 0.43

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
SCHEMBL13386557 0.84 ALDH1A1 (0.71) ALDH1A1RORCRORARORBHPGD
SCHEMBL20291531 0.81 ALDH1A1 (0.54) ALDH1A1HPGDP2RX4PGRSLC6A4
SCHEMBL29660662 0.81 ALDH1A1 (0.54) ALDH1A1HPGDP2RX4PGRSLC6A4
SCHEMBL14280396 0.81 RORA (0.62) ALDH1A1RORCRORARORBPGR
SCHEMBL10071739 0.79 ATM (0.54) ALDH1A1RORCRORARORBHPGD
SCHEMBL24525575 0.79 P2RX4 (0.58) ALDH1A1HPGDP2RX4NPC1KDM4E
SCHEMBL13226089 0.78 ALDH1A1 (0.72) ALDH1A1RORCRORARORBHPGD
SCHEMBL2600216 0.77 KDM4E (0.62) ALDH1A1HPGDKDM4ELMNAPOLB
SCHEMBL12083715 0.77 GPR3 (0.57) ALDH1A1RORCRORARORBHPGD
SCHEMBL14493936 0.76 RORA (0.62) ALDH1A1RORCRORARORBHPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080020323-A1 Light sensitive planographic printing plate material KONICA MINOLTA MEDICAL & GRAPHIC, INC. 2008-01-24 US disclosed
US-20080020323-A1 Light sensitive planographic printing plate material KONICA MINOLTA MEDICAL & GRAPHIC, INC. 2008-01-24 US disclosed