SCHEMBL23645847

SCHEMBL23645847

CCCC[C@@]1(C)C[C@@H](N)[C@H](O)CC1C

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.33
SPHK1 Q9NYA1 2/20 0.32

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
SCHEMBL23645843 1.00 GAA (0.33) GAASPHK1
SCHEMBL23645810 0.79
SCHEMBL23645809 0.79
SCHEMBL23645811 0.74
SCHEMBL23645844 0.73
SCHEMBL15307831 0.70 FUCA1 (0.33)
SCHEMBL15307833 0.70 FUCA1 (0.33)
SCHEMBL15307829 0.70 FUCA1 (0.33)
SCHEMBL15307830 0.70 FUCA1 (0.33)
SCHEMBL16411271 0.69 TSHR (0.33) GAA

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-2625190-B1 DERIVATIVES OF STEROID BENZYLAMINES, HAVING AN ANTIPARASITIC, ANTIBACTERIAL, ANTIMYCOTIC AND/OR ANTIVIRAL ACTION UNIV JUSTUS LIEBIG GIESSEN (DE) 2021-07-14 EP disclosed