SCHEMBL11058660

SCHEMBL11058660

CCCC1C(=O)C(C(=O)OC)C(C(C)C)C(C(C)C)C1=O

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DNTT P04053 1/20 0.35
CYP1A2 P05177 1/20 0.34
HIF1A Q16665 1/20 0.34
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
ALOX15 P16050 1/20 0.31

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
SCHEMBL11061469 0.77 CYP1A2 (0.38) CYP1A2HIF1AALDH1A1
SCHEMBL11061166 0.77 CYP1A2 (0.38) CYP1A2HIF1AALDH1A1
SCHEMBL11061977 0.74 DNTT (0.35) DNTTCYP1A2HIF1A
SCHEMBL11058746 0.73 CYP1A2 (0.36) DNTTCYP1A2HIF1AALDH1A1LMNA
SCHEMBL11058700 0.72 DNTT (0.38) DNTTCYP1A2HIF1AALDH1A1LMNA
SCHEMBL11065422 0.72 DNTT (0.38) DNTTCYP1A2HIF1AALDH1A1LMNA
SCHEMBL11061182 0.72 DNTT (0.38) DNTTCYP1A2HIF1AALDH1A1LMNA
SCHEMBL11061100 0.71 DNTT (0.35) DNTTCYP1A2HIF1A
SCHEMBL11056859 0.71 DNTT (0.37) DNTTCYP1A2HIF1AALDH1A1LMNA
SCHEMBL11060886 0.71 DNTT (0.37) DNTTCYP1A2HIF1AALDH1A1LMNA

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