SCHEMBL8181292

SCHEMBL8181292

CC(C)(C)c1ccc(/C=C2\SC(=O)N(CC(=O)O)C2=O)cc1

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 6/20 0.72
▸ CA9 Q16790 2/20 0.70
▸ PPARG P37231 1/20 0.60
▸ MCL1 Q07820 1/20 0.60

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
SCHEMBL8181294 1.00 AKR1B1 (0.72) AKR1B1CA9PPARGMCL1
SCHEMBL17319555 0.88 PTPN12 (0.72) AKR1B1
SCHEMBL20534609 0.87 PPARG (0.73) AKR1B1CA9PPARG
SCHEMBL20534608 0.87 PPARG (0.73) AKR1B1CA9PPARG
SCHEMBL20534368 0.85 AKR1B1 (0.78) AKR1B1CA9PPARGMCL1
SCHEMBL20534607 0.85 AKR1B1 (0.78) AKR1B1CA9PPARGMCL1
SCHEMBL20534605 0.84 AKR1B1 (1.00) AKR1B1CA9PPARG
SCHEMBL20534606 0.84 AKR1B1 (1.00) AKR1B1CA9PPARG
SCHEMBL9011343 0.84 AKR1B1 (0.84) AKR1B1CA9
SCHEMBL9011346 0.84 AKR1B1 (0.84) AKR1B1CA9

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
WO-2000018746-A1 THIAZOLIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF METABOLIC BONE DISORDERS ROCHE DIAGNOSTICS GMBH (DE) 2000-04-06 — — WO disclosed
Send feedback