SCHEMBL10067447

SCHEMBL10067447

C1=C[C@H]2C[C@@H](NC3CC3)C2C1

nearest known ligand 0.39

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL15312384 1.00 ALDH1A1 (0.39) ALDH1A1
SCHEMBL15312382 1.00 ALDH1A1 (0.39) ALDH1A1
SCHEMBL471072 1.00 ALDH1A1 (0.39) ALDH1A1
SCHEMBL471069 1.00 ALDH1A1 (0.39) ALDH1A1
SCHEMBL19909853 1.00 ALDH1A1 (0.39) ALDH1A1
SCHEMBL8097423 0.69 KDM1A (0.31)
SCHEMBL11270878 0.61
Hydrochloric Acid SCHEMBL1864614 0.58 ALDH1A1 (0.91) ALDH1A1
SCHEMBL11539988 0.57 ALDH1A1 (0.37) ALDH1A1
SCHEMBL11539990 0.57 ALDH1A1 (0.37) ALDH1A1

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-2012031307-A1 PLEUROMUTILIN DERIVATIVES FOR USE IN THE TREATMENT OF DISEASES MEDIATED BY MICROBES NABRIVA THERAPEUTICS AG (AT) 2012-03-15 WO disclosed