SCHEMBL11528548

SCHEMBL11528548

C=C(C)C(=O)OCC(O)COCC(CC)CCCC

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.48
CYP3A4 P08684 5/20 0.47
ATM Q13315 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 5/20 0.42
CA2 P00918 2/20 0.42
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP14 P50281 1/20 0.41
RECQL P46063 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 3/20 0.39
MAPK1 P28482 2/20 0.39
HSD17B10 Q99714 1/20 0.38
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
THRB P10828 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
SCHEMBL16772 0.87 TSHR (0.61) TSHRCYP3A4ATMTDP1ALDH1A1
SCHEMBL1269088 0.87 TSHR (0.61) TSHRCYP3A4ATMTDP1ALDH1A1
SCHEMBL27697658 0.86 TSHR (0.47) TSHRCYP3A4ATMTDP1ALDH1A1
SCHEMBL16250357 0.85 CYP3A4 (0.51) TSHRCYP3A4ATMTDP1ALDH1A1
Charcoal, Activated SCHEMBL11214727 0.85 TSHR (0.59) TSHRCYP3A4ATMTDP1ALDH1A1
Methane SCHEMBL28153878 0.85 TSHR (0.59) TSHRCYP3A4ATMTDP1ALDH1A1
SCHEMBL31757145 0.85 TSHR (0.59) TSHRCYP3A4ATMTDP1ALDH1A1
SCHEMBL8638932 0.84 ALDH1A1 (0.40) TSHRCYP3A4ATMTDP1ALDH1A1
SCHEMBL8433034 0.84 ALDH1A1 (0.40) TSHRCYP3A4ATMTDP1ALDH1A1
Ether SCHEMBL18091197 0.84 TSHR (0.55) TSHRCYP3A4ATMTDP1ALDH1A1

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
US-20240026145-A1 OPHTHALMIC LENS MENICON CO., LTD. (JP) 2024-01-25 US disclosed
US-20240026145-A1 OPHTHALMIC LENS MENICON CO., LTD. (JP) 2024-01-25 US disclosed
EP-4206797-A1 OPHTHALMIC LENS Menicon Co., Ltd. (JP) 2023-07-05 EP disclosed
US-20210163650-A1 POLYMER MATERIAL MENICON CO., LTD. (JP) 2021-06-03 US disclosed
EP-3822296-A1 POLYMER MATERIAL Menicon Co., Ltd. (JP) 2021-05-19 EP disclosed
US-4148967-A Metallized plastic molded product and method for producing same MITSUBISHI RAYON CO., LTD. (JP) 1979-04-10 US disclosed