SCHEMBL11062136

SCHEMBL11062136

CCCC1C(=O)CC(=O)C(C(=O)OC)C1C

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DNTT P04053 2/20 0.38
ALDH1A1 P00352 5/20 0.36
TSHR P16473 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
HTT P42858 1/20 0.36
CYP1A2 P05177 1/20 0.34
HIF1A Q16665 1/20 0.34
ALOX12 P18054 1/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 2/20 0.32
RAB9A P51151 1/20 0.32
POLB P06746 1/20 0.31
POLA1 P09884 1/20 0.31
KAT2A Q92830 1/20 0.30
PTGER4 P35408 1/20 0.30
PTGER3 P43115 1/20 0.30
PTGER2 P43116 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
SCHEMBL11059577 0.83 DNTT (0.38) DNTTALDH1A1TSHRSMN1; SMN2HTT
SCHEMBL11058208 0.81 DNTT (0.37) DNTTALDH1A1TSHRSMN1; SMN2HTT
SCHEMBL11065302 0.80 DNTT (0.36) DNTTALDH1A1TSHRSMN1; SMN2HTT
SCHEMBL11058336 0.79 DNTT (0.38) DNTTALDH1A1TSHRSMN1; SMN2HTT
SCHEMBL11058710 0.78 ALDH1A1 (0.41) DNTTALDH1A1TSHRCYP1A2HIF1A
SCHEMBL11061182 0.76 DNTT (0.38) DNTTALDH1A1TSHRSMN1; SMN2HTT
SCHEMBL10975655 0.73 ALDH1A1 (0.47) DNTTALDH1A1TSHRSMN1; SMN2HTT
SCHEMBL11058150 0.73 DNTT (0.35) DNTTALDH1A1TSHRSMN1; SMN2CYP1A2
SCHEMBL11062384 0.72 ALDH1A1 (0.37) DNTTALDH1A1TSHRSMN1; SMN2CYP1A2
SCHEMBL11064883 0.72 CYP1A2 (0.38) ALDH1A1TSHRCYP1A2HIF1AKMT2A

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