SCHEMBL10359717

SCHEMBL10359717

O=C(O)C[C@@H]1CC[C@@H](O)[C@@H]2O[C@H]12

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SLC6A12 P48065 5/20 0.39
▸ SLC6A11 P48066 5/20 0.39
▸ SLC6A13 Q9NSD5 5/20 0.39
▸ 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
SCHEMBL10359716 1.00 SLC6A12 (0.39) SLC6A12SLC6A11SLC6A13SLC6A1GABRA5
SCHEMBL10359376 1.00 SLC6A12 (0.39) SLC6A12SLC6A11SLC6A13SLC6A1GABRA5
SCHEMBL10359377 1.00 SLC6A12 (0.39) SLC6A12SLC6A11SLC6A13SLC6A1GABRA5
SCHEMBL6076661 0.74 SLC6A12 (0.44) SLC6A12SLC6A11SLC6A13SLC6A1GABRA5
SCHEMBL6435442 0.74 GBA1 (0.32) —
SCHEMBL9278180 0.72 SLC6A12 (0.57) SLC6A12SLC6A11SLC6A13SLC6A1GABRA5
SCHEMBL6436262 0.72 — —
SCHEMBL17281763 0.71 SLC6A12 (0.41) SLC6A12SLC6A11SLC6A13SLC6A1GABRA5
SCHEMBL21510329 0.69 SLC6A12 (0.40) SLC6A12SLC6A11SLC6A13SLC6A1GABRA5
SCHEMBL19190079 0.69 SLC6A12 (0.40) SLC6A12SLC6A11SLC6A13SLC6A1GABRA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0213547-B1 CYCLOHEXANEALKANOIC ACIDS MERRELL DOW PHARMACEUTICALS INC. (US) 1990-12-27 — — EP disclosed
EP-0213547-A1 Cyclohexanealkanoic acids MERRELL DOW PHARMACEUTICALS INC. (US) 1987-03-11 — — EP disclosed
US-4622422-A FOR TREATMENT OF BRONCHIAL ASTHMA MERRELL DOW PHARMACEUTICALS INC. (US) 1986-11-11 — — US disclosed
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