SCHEMBL11059577

SCHEMBL11059577

CCCC1C(=O)CC(=O)C(C(=O)OC)C1CC

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DNTT P04053 2/20 0.38
CYP1A2 P05177 1/20 0.33
HIF1A Q16665 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
TSHR P16473 2/20 0.33
ALOX12 P18054 1/20 0.33
HTT P42858 1/20 0.33
ALDH1A1 P00352 3/20 0.33
BRD4 O60885 1/20 0.32
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
POLA1 P09884 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
SCHEMBL11058208 0.89 DNTT (0.37) DNTTCYP1A2HIF1ASMN1; SMN2TSHR
SCHEMBL11062136 0.83 DNTT (0.38) DNTTCYP1A2HIF1ASMN1; SMN2TSHR
SCHEMBL11058336 0.81 DNTT (0.38) DNTTCYP1A2HIF1ASMN1; SMN2TSHR
SCHEMBL11062384 0.81 ALDH1A1 (0.37) DNTTCYP1A2HIF1ASMN1; SMN2TSHR
SCHEMBL11065302 0.79 DNTT (0.36) DNTTCYP1A2HIF1ASMN1; SMN2TSHR
SCHEMBL11058150 0.78 DNTT (0.35) DNTTCYP1A2HIF1ASMN1; SMN2TSHR
SCHEMBL11056859 0.77 DNTT (0.37) DNTTCYP1A2HIF1ASMN1; SMN2TSHR
SCHEMBL10975655 0.72 ALDH1A1 (0.47) DNTTCYP1A2HIF1ASMN1; SMN2TSHR
SCHEMBL11062602 0.72 DNTT (0.38) DNTTCYP1A2HIF1ASMN1; SMN2TSHR
SCHEMBL11065693 0.69 CYP1A2 (0.36) DNTTCYP1A2HIF1AALDH1A1BRD4

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