SCHEMBL18658364

SCHEMBL18658364

CC(C)(C)COc1cc(C(=O)OC(C)(C)C)cc(C(=O)OC(C)(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 7/20 0.38
▸ GABRG2 P18507 7/20 0.38
▸ GABRB3 P28472 7/20 0.38
▸ GABRA3 P34903 7/20 0.38
▸ GABRA2 P47869 7/20 0.38
▸ SLC7A5 Q01650 1/20 0.38
▸ SERPINE1 P05121 2/20 0.37
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ CA14 Q9ULX7 1/20 0.36
▸ ELANE P08246 1/20 0.34
▸ GABRA5 P31644 5/20 0.34
▸ GABRA4 P48169 4/20 0.34
▸ GABRA6 Q16445 4/20 0.34
▸ GABRP O00591 2/20 0.34
▸ GABRD O14764 2/20 0.34
▸ GABRB1 P18505 2/20 0.34
▸ GABRB2 P47870 2/20 0.34

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
SCHEMBL19049854 0.81 SLC7A5 (0.37) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL7058435 0.81 CA12 (0.47) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL22102734 0.81 PLA2G2A (0.39) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL12285647 0.80 PLA2G2A (0.50) CA12CA1CA2CA9CA14
SCHEMBL19240777 0.78 RXRA (0.41) SLC7A5
SCHEMBL19051890 0.78 SLC7A5 (0.35) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL4736069 0.77 MEN1 (0.41) PLA2G2A
SCHEMBL20644705 0.75 PLA2G2A (0.40) SLC7A5PLA2G2A
SCHEMBL2925424 0.75 PLA2G2A (0.47) PLA2G2APDK2
SCHEMBL6577887 0.74 TPMT (0.43) GABRA1GABRG2GABRB3GABRA3GABRA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170081466-A1 ASSOCIATIVE POLYMERS FOR USE IN A FLOW AND RELATED COMPOSITIONS, METHODS AND SYSTEMS NASA 2017-03-23 — — US disclosed
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