SCHEMBL28959412

SCHEMBL28959412

CCCCCCCCOC(=O)c1ccc2nn(-c3ccc(OC)cc3O)nc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 7/20 0.48
HDAC6 Q9UBN7 1/20 0.46
ESR1 P03372 4/20 0.46
AKR1C4 P17516 1/20 0.46
AKR1C3 P42330 1/20 0.46
AKR1C2 P52895 1/20 0.46
AKR1C1 Q04828 1/20 0.46
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
CYP2C19 P33261 1/20 0.45
NR1H2 P55055 1/20 0.45
RNASEL Q05823 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
SLC2A1 P11166 1/20 0.45
MAPT P10636 2/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 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
SCHEMBL21630161 0.93 STS (0.49) STSESR1AKR1C4AKR1C3AKR1C2
SCHEMBL29881106 0.93 STS (0.49) STSESR1AKR1C4AKR1C3AKR1C2
SCHEMBL28959400 0.89 STS (0.44) STSTSHRMAPT
SCHEMBL28965153 0.88 NPC1 (0.50) STSESR1LMNATSHRMAPT
SCHEMBL22129869 0.88 HDAC6 (0.54) STSHDAC6ESR1AKR1C4AKR1C3
SCHEMBL24089255 0.87 HDAC6 (0.42) STSHDAC6ESR1LMNACYP1A2
SCHEMBL24089254 0.87 POLB (0.43) STSHDAC6ESR1LMNACYP1A2
SCHEMBL28959411 0.87 TP53 (0.43) TSHRMAPTALDH1A1
SCHEMBL22129878 0.85 KDM4E (0.50) STSHDAC6ESR1LMNACYP1A2
SCHEMBL30162729 0.85 KDM4E (0.50) STSHDAC6ESR1LMNACYP1A2

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-115769131-A Glasses lens 豪雅镜片泰国有限公司 2023-03-07 CN claimed
CN-115769130-A Glasses lens 豪雅镜片泰国有限公司 2023-03-07 CN disclosed
CN-115769131-A Glasses lens 豪雅镜片泰国有限公司 2023-03-07 CN disclosed
CN-115720640-A Glasses lens 豪雅镜片泰国有限公司 2023-02-28 CN disclosed