SCHEMBL30985289

SCHEMBL30985289

CC(C)(O)Cc1ccccc1-c1ccc2ccccc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
GSTP1 P09211 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
ESR2 Q92731 2/20 0.41
ESR1 P03372 1/20 0.41
ALOX5 P09917 1/20 0.40
SLC22A12 Q96S37 1/20 0.39
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 1/20 0.39
TRPA1 O75762 1/20 0.38
CCNC P24863 3/20 0.38
CDK8 P49336 3/20 0.38
S1PR4 O95977 2/20 0.38
S1PR5 Q9H228 2/20 0.38
GPR84 Q9NQS5 1/20 0.38
SRC P12931 1/20 0.37

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
SCHEMBL16670501 1.00 HDAC4 (0.45) HDAC4HDAC2HDAC8GSTP1SLC6A2
SCHEMBL11018452 0.78 TRPA1 (0.58) HDAC4HDAC2HDAC8GSTP1SLC6A2
SCHEMBL477558 0.78 GSTP1 (0.52) HDAC4HDAC2HDAC8GSTP1SLC6A2
SCHEMBL14063309 0.75 HDAC4 (0.49) HDAC4HDAC2HDAC8GSTP1SLC6A2
SCHEMBL5048312 0.74 SLC6A2 (0.51) HDAC4HDAC2HDAC8GSTP1SLC6A2
SCHEMBL3101177 0.74 GSTP1 (0.52) HDAC4HDAC2HDAC8GSTP1SLC6A2
SCHEMBL27987589 0.74 DPP4 (0.59) HDAC4HDAC2HDAC8GSTP1SLC6A2
SCHEMBL4439739 0.74 GSTP1 (0.52) HDAC4HDAC2HDAC8GSTP1SLC6A2
SCHEMBL16670500 0.73 CYP2C19 (0.41) SLC6A2SLC6A4SLC22A12GPR84
SCHEMBL930976 0.73 GSTP1 (0.50) HDAC4HDAC2HDAC8GSTP1SLC6A2

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
CN-113501778-B Blue light-emitting compound 株式会社LG化学 2024-06-14 CN disclosed