SCHEMBL11062857

SCHEMBL11062857

CCCC1C(=O)C(C)C(=O)C(C(=O)OC)C1CCC

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DNTT P04053 2/20 0.38
CYP1A2 P05177 1/20 0.33
HIF1A Q16665 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.31
POLA1 P09884 1/20 0.31
TSHR P16473 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL11058700 0.84 DNTT (0.38) DNTTCYP1A2HIF1AALDH1A1POLB
SCHEMBL11062602 0.84 DNTT (0.38) DNTTCYP1A2HIF1AALDH1A1POLB
SCHEMBL11064654 0.81 CYP1A2 (0.35) DNTTCYP1A2HIF1AALDH1A1
SCHEMBL11060886 0.77 DNTT (0.37) DNTTCYP1A2HIF1AALDH1A1POLB
SCHEMBL11056859 0.77 DNTT (0.37) DNTTCYP1A2HIF1AALDH1A1POLB
SCHEMBL11065422 0.75 DNTT (0.38) DNTTCYP1A2HIF1AALDH1A1POLB
SCHEMBL11058208 0.74 DNTT (0.37) DNTTCYP1A2HIF1AALDH1A1POLB
SCHEMBL11058336 0.72 DNTT (0.38) DNTTCYP1A2HIF1AALDH1A1POLB
SCHEMBL11061182 0.72 DNTT (0.38) DNTTCYP1A2HIF1AALDH1A1POLB
SCHEMBL11065677 0.71 ALDH1A1 (0.38) DNTTCYP1A2HIF1AALDH1A1POLB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4432378-A ORGANOLEPTIC; TOBACCO; FOODS; DETERGENTS; COSMETICS FRITZSCHE, DODGE & OLCOTT, INC. (US) 1984-02-21 US disclosed
US-4326996-A FOR PERFUMES FRITZSCHE DODGE & OLCOTT INC. (US) 1982-04-27 US disclosed
US-4281204-A ALKYLATION, DECARBOXYLATION TO CYCLIZE FRITZSCHE DODGE & OLCOTT INC. (US) 1981-07-28 US disclosed