SCHEMBL11058700

SCHEMBL11058700

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

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DNTT P04053 2/20 0.38
TSHR P16473 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP1A2 P05177 1/20 0.33
HIF1A Q16665 1/20 0.33
KMT2A Q03164 1/20 0.32
POLB P06746 1/20 0.31
POLA1 P09884 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
HTT P42858 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
SCHEMBL11062602 0.94 DNTT (0.38) DNTTTSHRALDH1A1LMNATP53
SCHEMBL11056859 0.92 DNTT (0.37) DNTTTSHRALDH1A1LMNATP53
SCHEMBL11060886 0.92 DNTT (0.37) DNTTTSHRALDH1A1LMNATP53
SCHEMBL11065422 0.84 DNTT (0.38) DNTTTSHRALDH1A1LMNATP53
SCHEMBL11062857 0.84 DNTT (0.38) DNTTTSHRALDH1A1CYP1A2HIF1A
SCHEMBL11061182 0.84 DNTT (0.38) DNTTTSHRALDH1A1LMNATP53
SCHEMBL11065693 0.76 CYP1A2 (0.36) DNTTALDH1A1CYP1A2HIF1AKMT2A
SCHEMBL11058208 0.74 DNTT (0.37) DNTTTSHRALDH1A1LMNACYP1A2
SCHEMBL11065968 0.72 CYP1A2 (0.36) DNTTALDH1A1LMNACYP1A2HIF1A
SCHEMBL11058660 0.72 DNTT (0.35) DNTTTSHRALDH1A1LMNATP53

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