SCHEMBL19190079

SCHEMBL19190079

O=C(O)CC1CC[C@H](O)[C@H]1CO

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SLC6A12 P48065 5/20 0.40
▸ SLC6A11 P48066 5/20 0.40
▸ SLC6A13 Q9NSD5 5/20 0.40
▸ HSD11B1 P28845 1/20 0.33
▸ AKR1C4 P17516 1/20 0.33
▸ AKR1C3 P42330 1/20 0.33
▸ AKR1C2 P52895 1/20 0.33
▸ SLC6A1 P30531 2/20 0.31
▸ GABRA5 P31644 2/20 0.31
▸ GABRB2 P47870 2/20 0.31
▸ GABRA1 P14867 1/20 0.31
▸ GABRR1 P24046 1/20 0.31
▸ GABRA4 P48169 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
SCHEMBL21510329 1.00 SLC6A12 (0.40) SLC6A12SLC6A11SLC6A13HSD11B1AKR1C4
SCHEMBL11556130 0.81 SLC6A12 (0.35) SLC6A12SLC6A11SLC6A13AKR1C4AKR1C3
SCHEMBL18088605 0.79 CA1 (0.38) SLC6A12SLC6A11SLC6A13HSD11B1AKR1C4
SCHEMBL18853784 0.78 AKR1C4 (0.37) SLC6A12SLC6A11SLC6A13AKR1C4AKR1C3
SCHEMBL669993 0.77 AKR1C4 (0.52) SLC6A12SLC6A11SLC6A13AKR1C4AKR1C3
SCHEMBL18853787 0.77 AKR1C4 (0.52) SLC6A12SLC6A11SLC6A13AKR1C4AKR1C3
SCHEMBL30180824 0.77 AKR1C4 (0.52) SLC6A12SLC6A11SLC6A13AKR1C4AKR1C3
SCHEMBL18853799 0.77 AKR1C4 (0.52) SLC6A12SLC6A11SLC6A13AKR1C4AKR1C3
SCHEMBL6727788 0.77 AKR1C4 (0.52) SLC6A12SLC6A11SLC6A13AKR1C4AKR1C3
SCHEMBL29517213 0.77 AKR1C4 (0.52) SLC6A12SLC6A11SLC6A13AKR1C4AKR1C3

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
EP-2576565-B1 CARBANUCLEOSIDE SYNTHESIS AND NOVEL INTERMEDIATE COMPOUNDS USEFUL THEREIN ALPHORA RES INC (CA) 2017-08-02 — — EP disclosed
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