SCHEMBL27360000

SCHEMBL27360000

C=C(C)C(=O)OCC(=O)N(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.48
TSHR P16473 4/20 0.47
ALDH1A1 P00352 7/20 0.41
KDM4E B2RXH2 2/20 0.40
CYP1A2 P05177 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GAA P10253 3/20 0.35
GLA P06280 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
POLB P06746 2/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32
STAT3 P40763 1/20 0.31
MGAM O43451 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31

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
SCHEMBL7158953 0.83 TSHR (0.47) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL10536710 0.80 THRB (0.43) THRBTSHRALDH1A1
SCHEMBL9415788 0.79 THRB (0.55) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL3901039 0.78 TSHR (0.42) THRBTSHRALDH1A1POLBAPEX1
Trimethylammonium SCHEMBL421649 0.77 THRB (0.57) THRBTSHRALDH1A1GAALMNA
Dimethylcarbate SCHEMBL5934596 0.77 THRB (0.52) THRBTSHRALDH1A1GAASMN1; SMN2
SCHEMBL10621262 0.77 ALDH1A1 (0.50) TSHRALDH1A1KDM4ECYP1A2L3MBTL1
SCHEMBL5098395 0.77 TSHR (0.54) THRBTSHRALDH1A1GAAPOLB
SCHEMBL1389549 0.77 TSHR (0.54) THRBTSHRALDH1A1GAAPOLB
SCHEMBL21313125 0.77 TSHR (0.54) THRBTSHRALDH1A1GAAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4626495-A1 OPHTHALMIC LENS MATERIALS AND DEVICES MADE THEREOF Johnson & Johnson Surgical Vision, Inc. (US) 2025-10-08 EP disclosed
US-20240209129-A1 OPHTHALMIC LENS MATERIALS AND DEVICES MADE THEREOF Johnson & Johnson Surgical Vision, Inc. 2024-06-27 US disclosed
US-20240209129-A1 OPHTHALMIC LENS MATERIALS AND DEVICES MADE THEREOF Johnson & Johnson Surgical Vision, Inc. 2024-06-27 US disclosed
US-20240209129-A1 OPHTHALMIC LENS MATERIALS AND DEVICES MADE THEREOF Johnson & Johnson Surgical Vision, Inc. 2024-06-27 US disclosed
WO-2024116106-A1 OPHTHALMIC LENS MATERIALS AND DEVICES MADE THEREOF Johnson & Johnson Surgical Vision, Inc. (US) 2024-06-06 WO disclosed
WO-2024116106-A1 OPHTHALMIC LENS MATERIALS AND DEVICES MADE THEREOF Johnson & Johnson Surgical Vision, Inc. (US) 2024-06-06 WO disclosed