SCHEMBL22129887

SCHEMBL22129887

CCCCOC(=O)c1ccc2nn(-c3ccc(N(C)C)cc3O)nc2c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.46
SIRT2 Q8IXJ6 4/20 0.44
LMNA P02545 3/20 0.43
CYP1A2 P05177 2/20 0.43
TSHR P16473 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP2D6 P10635 1/20 0.43
MAPK1 P28482 1/20 0.43
NR1H2 P55055 1/20 0.43
RNASEL Q05823 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
STS P08842 7/20 0.41
CYP3A4 P08684 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SIRT1 Q96EB6 3/20 0.41
CYP2C9 P11712 1/20 0.40
PDE4D Q08499 1/20 0.40

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
SCHEMBL30162752 1.00 ESR1 (0.46) ESR1SIRT2LMNACYP1A2TSHR
SCHEMBL30162831 0.96 SIRT2 (0.47) ESR1SIRT2STSALDH1A1
SCHEMBL22129876 0.96 SIRT2 (0.47) ESR1SIRT2STSALDH1A1
SCHEMBL28988280 0.92 ESR1 (0.49) ESR1SIRT2LMNACYP1A2TSHR
SCHEMBL30404913 0.91 ESR1 (0.46) ESR1LMNACYP1A2TSHRCYP2C19
SCHEMBL22129871 0.91 ESR1 (0.46) ESR1LMNACYP1A2TSHRCYP2C19
SCHEMBL22129868 0.91 SIRT2 (0.49) ESR1SIRT2LMNAMAPK1SMN1; SMN2
SCHEMBL30162785 0.91 SIRT2 (0.49) ESR1SIRT2LMNAMAPK1SMN1; SMN2
SCHEMBL22129874 0.84 ESR1 (0.45) ESR1SIRT2LMNACYP1A2TSHR
SCHEMBL30162521 0.84 ESR1 (0.45) ESR1SIRT2LMNACYP1A2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3901180-B1 CURABLE COMPOSITION FOR OPTICAL MATERIALS, AND OPTICAL MATERIAL TOKUYAMA CORP (JP) 2024-12-11 EP disclosed
US-12054568-B2 Optical material composition and optical material TOKUYAMA CORPORATION (JP) 2024-08-06 US disclosed
CN-113227158-B Curable composition for optical material and optical material 株式会社德山 2023-04-25 CN disclosed
CN-113166311-B Composition for optical material and optical material 株式会社德山 2023-01-06 CN disclosed
US-20220056170-A1 OPTICAL MATERIAL COMPOSITION AND OPTICAL MATERIAL TOKUYAMA CORPORATION (JP) 2022-02-24 US disclosed
US-20220056187-A1 CURABLE COMPOSITION FOR OPTICAL MATERIALS, AND OPTICAL MATERIAL TOKUYAMA CORPORATION (JP) 2022-02-24 US disclosed
EP-3901184-A1 OPTICAL MATERIAL COMPOSITION AND OPTICAL MATERIAL Tokuyama Corporation (JP) 2021-10-27 EP disclosed
EP-3901180-A1 CURABLE COMPOSITION FOR OPTICAL MATERIALS, AND OPTICAL MATERIAL Tokuyama Corporation (JP) 2021-10-27 EP disclosed
CN-113227158-A Curable composition for optical material and optical material 株式会社德山 2021-08-06 CN disclosed
CN-113166311-A Composition for optical material and optical material 株式会社德山 2021-07-23 CN disclosed
WO-2020129930-A1 CURABLE COMPOSITION FOR OPTICAL MATERIALS, AND OPTICAL MATERIAL 株式会社トクヤマ 2020-06-25 WO disclosed
WO-2020129933-A1 OPTICAL MATERIAL COMPOSITION AND OPTICAL MATERIAL 株式会社トクヤマ 2020-06-25 WO disclosed