SCHEMBL1581230

SCHEMBL1581230

CC(=CC1CCC(C(C)(C)C2CCCCC2)CC1)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.33
TUBB1 Q9H4B7 1/20 0.33
EPHX1 P07099 1/20 0.33
GRIK2 Q13002 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GABRA1 P14867 1/20 0.31
TSHR P16473 1/20 0.31
GABRG2 P18507 1/20 0.31
RXRA P19793 1/20 0.31
GABRB3 P28472 1/20 0.31
RXRB P28702 1/20 0.31
GABRB2 P47870 1/20 0.31
RXRG P48443 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
SCHEMBL1450330 0.82 EPHX1 (0.37) EPHX1ALDH1A1GABRA1TSHRGABRG2
SCHEMBL161506 0.82 EPHX1 (0.37) EPHX1ALDH1A1GABRA1TSHRGABRG2
SCHEMBL22799032 0.82 EPHX1 (0.37) EPHX1ALDH1A1GABRA1TSHRGABRG2
SCHEMBL8595697 0.82 GRIK1 (0.44) GRIK1GRIK2ALDH1A1GABRA1TSHR
SCHEMBL1245246 0.82 GRIK1 (0.44) GRIK1GRIK2ALDH1A1GABRA1TSHR
SCHEMBL156030 0.82 GRIK1 (0.44) GRIK1GRIK2ALDH1A1GABRA1TSHR
SCHEMBL1244582 0.82 GRIK1 (0.44) GRIK1GRIK2ALDH1A1GABRA1TSHR
SCHEMBL111090 0.82 GRIK1 (0.44) GRIK1GRIK2ALDH1A1GABRA1TSHR
SCHEMBL36412 0.82 GRIK1 (0.44) GRIK1GRIK2ALDH1A1GABRA1TSHR
SCHEMBL8961149 0.82 GRIK1 (0.44) GRIK1GRIK2ALDH1A1GABRA1TSHR

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
EP-1806614-B1 HIGHLY OXYGEN-PERMEABLE HYDRATED OCULAR LENS SEED CO LTD (JP) 2011-04-20 EP disclosed
US-7781536-B2 Highly oxygen-permeable hydrated ocular lens SEED CO., LTD. (JP) 2010-08-24 US disclosed
US-20080094570-A1 Highly Oxygen-Permeable Hydrated Ocular Lens SEED CO., LTD. (JP) 2008-04-24 US disclosed
EP-1806614-A1 HIGHLY OXYGEN-PERMEABLE HYDRATED OCULAR LENS Seed Co., Ltd. (JP) 2007-07-11 EP disclosed