SCHEMBL11062963

SCHEMBL11062963

CCCC1CC(=O)C(CC)C(=O)C1C(=O)OC

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DNTT P04053 2/20 0.37
CYP1A2 P05177 1/20 0.36
HIF1A Q16665 1/20 0.36
ALDH1A1 P00352 6/20 0.35
BRD4 O60885 1/20 0.34
POLB P06746 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NPSR1 Q6W5P4 2/20 0.33
TSHR P16473 3/20 0.32
ALOX12 P18054 1/20 0.32
KMT2A Q03164 2/20 0.31
GAA P10253 1/20 0.31
LMNA P02545 2/20 0.31
RAB9A P51151 1/20 0.31
TP53 P04637 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30
POLA1 P09884 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL11065468 0.90 DNTT (0.36) DNTTCYP1A2HIF1AALDH1A1BRD4
SCHEMBL11065677 0.85 ALDH1A1 (0.38) DNTTCYP1A2HIF1AALDH1A1BRD4
SCHEMBL11061158 0.82 CYP1A2 (0.37) DNTTCYP1A2HIF1AALDH1A1POLB
SCHEMBL11061933 0.80 ALDH1A1 (0.47) DNTTCYP1A2HIF1AALDH1A1BRD4
SCHEMBL11064994 0.79 ALDH1A1 (0.44) DNTTCYP1A2HIF1AALDH1A1POLB
SCHEMBL10975655 0.77 ALDH1A1 (0.47) DNTTCYP1A2HIF1AALDH1A1BRD4
SCHEMBL11058746 0.75 CYP1A2 (0.36) DNTTCYP1A2HIF1AALDH1A1TSHR
SCHEMBL11061963 0.75 ALDH1A1 (0.40) DNTTCYP1A2HIF1AALDH1A1BRD4
SCHEMBL15944453 0.72 ALDH1A1 (0.61) DNTTCYP1A2HIF1AALDH1A1BRD4
SCHEMBL11062602 0.71 DNTT (0.38) DNTTCYP1A2HIF1AALDH1A1POLB

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