SCHEMBL7674141

SCHEMBL7674141

C=C1C(=O)OC2(C)CN(S(=O)(=O)c3ccc(C)cc3)CC12

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.42
PRTN3 P24158 1/20 0.42
PKM P14618 3/20 0.41
GAA P10253 2/20 0.41
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
HTT P42858 1/20 0.40
CD4 P01730 2/20 0.39
KMT2A Q03164 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
SCHEMBL7849121 0.73 GAA (0.47) PKMGAAALDH1A1POLBHTT
SCHEMBL9066820 0.73 GAA (0.47) PKMGAAALDH1A1POLBHTT
SCHEMBL7670681 0.71 PKM (0.44) PKMGAAALDH1A1POLBHTT
SCHEMBL9066505 0.68 PKM (0.46) PKMGAAALDH1A1POLBHTT
SCHEMBL504922 0.68 PKM (0.46) PKMGAAALDH1A1POLBHTT
SCHEMBL9066501 0.68 PKM (0.46) PKMGAAALDH1A1POLBHTT
SCHEMBL15751296 0.67 PKM (0.61) PKMGAAALDH1A1POLBHTT
SCHEMBL825032 0.66 PKM (0.59) PKMGAAALDH1A1POLBHTT
SCHEMBL23406562 0.66 PKM (0.44) PKMGAAALDH1A1POLBHTT
SCHEMBL825108 0.66 PKM (0.63) PKMGAAALDH1A1POLBHTT

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-6500962-B1 SINGLE STEP CATALYZED CYCLIZATION OF AN ALENE COMPOUND HAVING AN ALDEHYDE OR KETONE GROUP WITH CARBON MONOXIDE; HIGHER YIELD; LOWER COST SUNGKYUNKWAN UNIVERSITY (KR) 2002-12-31 US disclosed