SCHEMBL22679494

SCHEMBL22679494

CC(C)c1ccc(-c2cc3c4ccccc4n4c5cccc(-c6cccc7c6c6cc(-c8cccc(-c9ccccc9)c8)cc8c9ccccc9n7c86)c5c(c2)c34)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 1/20 0.34
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
ATP1A1 P05023 1/20 0.33
ATP1B1 P05026 1/20 0.33
ATP1A3 P13637 1/20 0.33
ATP1B2 P14415 1/20 0.33
ATP1A2 P50993 1/20 0.33
ATP1B3 P54709 1/20 0.33
FXYD2 P54710 1/20 0.33
ATP1A4 Q13733 1/20 0.33
MEN1 O00255 2/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
DNM1 Q05193 1/20 0.32
TSPO P30536 1/20 0.32
DHODH Q02127 1/20 0.32

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
SCHEMBL22679469 0.89 NTSR1 (0.34) DNM1TSPOALK
SCHEMBL21717821 0.88 TSPO (0.39) PTPN5RXRARXRBRXRGATP1A1
SCHEMBL21710686 0.85 TNKS (0.39) PTPN5MEN1MAPTKMT2ALMNA
SCHEMBL22868338 0.84 AKR1B1 (0.34) PTPN5DNM1TSPODHODHKDM4E
SCHEMBL15460147 0.83 TSPO (0.41) PTPN5RXRARXRBRXRGATP1A1
SCHEMBL22679625 0.81 RORA (0.35) RXRARXRBRXRGMEN1MAPT
SCHEMBL21710462 0.81 MAPT (0.38) PTPN5RXRARXRBRXRGMEN1
SCHEMBL21710478 0.81 PTGES (0.34) MAPTDHODHNPC1HPGDRAB9A
SCHEMBL15460054 0.81 TSPO (0.40) RXRARXRBMEN1MAPTKMT2A
SCHEMBL15460057 0.81 TSPO (0.40) RXRARXRBMEN1MAPTKMT2A

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-11723272-B2 Organic electroluminescence element and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2023-08-08 US disclosed
US-20200365812-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO.,LTD. (JP) 2020-11-19 US disclosed