SCHEMBL11065302

SCHEMBL11065302

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNTT P04053 1/20 0.36
PTGER2 P43116 5/20 0.35
PTGER4 P35408 2/20 0.35
PTGER3 P43115 2/20 0.35
CYP1A2 P05177 1/20 0.35
HIF1A Q16665 1/20 0.35
ALDH1A1 P00352 4/20 0.32
ALOX12 P18054 2/20 0.32
PTGIR P43119 2/20 0.32
TSHR P16473 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
HTT P42858 1/20 0.32
LMNA P02545 1/20 0.31
PGR P06401 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ABCC4 O15439 1/20 0.31
ABCB11 O95342 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL11062136 0.80 DNTT (0.38) DNTTPTGER2PTGER4PTGER3CYP1A2
SCHEMBL11059577 0.79 DNTT (0.38) DNTTCYP1A2HIF1AALDH1A1ALOX12
SCHEMBL11065679 0.78 CYP1A2 (0.38) CYP1A2HIF1AALDH1A1
SCHEMBL11058150 0.78 DNTT (0.35) DNTTPTGER2PTGER4PTGER3CYP1A2
SCHEMBL11061977 0.78 DNTT (0.35) DNTTCYP1A2HIF1A
SCHEMBL11058208 0.78 DNTT (0.37) DNTTCYP1A2HIF1AALDH1A1ALOX12
SCHEMBL11058336 0.73 DNTT (0.38) DNTTCYP1A2HIF1AALDH1A1ALOX12
SCHEMBL10975655 0.70 ALDH1A1 (0.47) DNTTCYP1A2HIF1AALDH1A1ALOX12
SCHEMBL11061158 0.70 CYP1A2 (0.37) DNTTCYP1A2HIF1AALDH1A1ALOX12
SCHEMBL11058660 0.70 DNTT (0.35) DNTTCYP1A2HIF1AALDH1A1TSHR

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