SCHEMBL22560136

SCHEMBL22560136

C=CC(=O)OCC(O)COCCC1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 7/20 0.39
▸ ALDH1A1 P00352 4/20 0.38
▸ TP53 P04637 3/20 0.38
▸ HIF1A Q16665 3/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ CYP3A4 P08684 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ EPHX1 P07099 1/20 0.34
▸ THRB P10828 1/20 0.33
▸ ADRB2 P07550 1/20 0.33
▸ ADRB1 P08588 1/20 0.33
▸ ADRB3 P13945 1/20 0.33
▸ CASP1 P29466 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ METAP2 P50579 1/20 0.30

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
SCHEMBL22560135 0.86 TSHR (0.41) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL21358600 0.82 NFE2L2 (0.37) ALDH1A1SMN1; SMN2EPHX1
SCHEMBL2316985 0.80 TSHR (0.48) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL26935991 0.80 TSHR (0.48) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL13230685 0.80 TSHR (0.50) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL2113973 0.80 TSHR (0.53) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL12629198 0.80 TSHR (0.57) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL9418348 0.80 TSHR (0.57) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL18784691 0.79 TSHR (0.57) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL601010 0.79 TSHR (0.57) TSHRALDH1A1TP53HIF1AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3638705-B1 INTRAOCULAR LENS COMPOSITIONS ALCON INC (CH) 2024-02-28 — — EP disclosed
US-11642217-B2 Intraocular lens compositions ALCON INC. (CH) 2023-05-09 — — US disclosed
US-11642217-B2 Intraocular lens compositions ALCON INC. (CH) 2023-05-09 — — US disclosed
US-20200405474-A1 INTRAOCULAR LENS COMPOSITIONS ALCON RESEARCH, LTD. 2020-12-31 — — US disclosed
US-10806566-B2 Intraocular lens compositions ALCON INC. (CH) 2020-10-20 — — US disclosed
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