SCHEMBL11575734

SCHEMBL11575734

CC(O)C(Br)([N+](=O)[O-])C(C)(C)O

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.33

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
SCHEMBL2550497 0.75
SCHEMBL1702973 0.75
SCHEMBL2728735 0.72 LMNA (0.39) ALDH1A1KDM4ELMNA
SCHEMBL426138 0.72
SCHEMBL6343599 0.70
SCHEMBL11575377 0.70 ALDH1A1 (0.33) ALDH1A1KDM4E
SCHEMBL11577447 0.70 ALDH1A1 (0.44) ALDH1A1KDM4E
SCHEMBL10484037 0.69 ALDH1A1 (0.41) ALDH1A1KDM4E
SCHEMBL10484218 0.69 ALDH1A1 (0.41) ALDH1A1KDM4E
SCHEMBL10484236 0.69 ALDH1A1 (0.41) ALDH1A1KDM4E

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
US-4113444-A HALONITRO ALCOHOLS GULF RESEARCH & DEVELOPMENT CO. (US) 1978-09-12 US disclosed