SCHEMBL31069702

SCHEMBL31069702

c1ccc2cc(-c3ccc(-c4ccc5ccccc5c4)c4cc5ccccc5cc34)ccc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 1/20 0.61
ALOX5 P09917 1/20 0.54
ESR2 Q92731 2/20 0.50
HDAC4 P56524 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
ESR1 P03372 1/20 0.50
DHFR P00374 1/20 0.47
HSD17B1 P14061 1/20 0.47
HSD17B2 P37059 1/20 0.47
KDM4E B2RXH2 1/20 0.46
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
CYP1A2 P05177 2/20 0.44
CYP11B1 P15538 2/20 0.44
CYP11B2 P19099 2/20 0.44
CYP17A1 P05093 1/20 0.44
CYP19A1 P11511 1/20 0.44
GPR84 Q9NQS5 1/20 0.44

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
SCHEMBL3193310 0.93 GSTP1 (0.64) GSTP1ALOX5ESR2HDAC4HDAC2
SCHEMBL3193631 0.91 GSTP1 (0.61) GSTP1ALOX5ESR2HDAC4HDAC2
SCHEMBL3176171 0.86 GSTP1 (0.61) GSTP1ALOX5ESR2HDAC4HDAC2
SCHEMBL29451176 0.85 GSTP1 (0.55) GSTP1ALOX5ESR2HDAC4HDAC2
Anthracene SCHEMBL27770411 0.85 GSTP1 (0.55) GSTP1ALOX5ESR2HDAC4HDAC2
SCHEMBL1041948 0.85 GSTP1 (0.55) GSTP1ALOX5ESR2HDAC4HDAC2
SCHEMBL3687907 0.85 GSTP1 (0.55) GSTP1ALOX5ESR2HDAC4HDAC2
SCHEMBL3792915 0.85 GSTP1 (0.55) GSTP1ALOX5ESR2HDAC4HDAC2
SCHEMBL9223723 0.84 GSTP1 (0.59) GSTP1ALOX5ESR2HDAC4HDAC2
SCHEMBL311695 0.83 GSTP1 (0.64) GSTP1ALOX5ESR2HDAC4HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112786795-B Organic electroluminescent device and aromatic compound for organic electroluminescent device 三星显示有限公司 2025-06-24 CN disclosed
CN-112117385-B Organic electroluminescent device and compound for organic electroluminescent device 三星显示有限公司 2025-01-24 CN disclosed
CN-113196511-B Organic electroluminescent device and spiro compound for organic electroluminescent device 三星显示有限公司 2025-01-14 CN disclosed
CN-112851529-B Organic electroluminescent device and diamine compound for organic electroluminescent device 三星显示有限公司 2024-08-02 CN disclosed