SCHEMBL11065757

SCHEMBL11065757

CCCC1CC(C(=O)OC)C(=O)C(C)C1=O

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TLR4 O00206 2/20 0.32
DNTT P04053 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
FKBP1A P62942 1/20 0.32
SLC6A3 Q01959 3/20 0.31
CYP1A2 P05177 1/20 0.30
HIF1A Q16665 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
SCHEMBL11055929 0.87 BRD4 (0.33) TLR4CYP1A2HIF1A
SCHEMBL11059934 0.84 TSHR (0.33) TSHRHTTSMN1; SMN2DNTTTDP1
SCHEMBL11069395 0.81 SLC6A3 (0.32) TSHRHTTSMN1; SMN2DNTTSLC6A3
SCHEMBL11066052 0.79 TSHR (0.33) TSHRHTTSMN1; SMN2TLR4DNTT
SCHEMBL11061482 0.77 TSHR (0.33) TSHRHTTSMN1; SMN2DNTT
SCHEMBL11069510 0.76 CYP1A2 (0.35) TLR4CYP1A2HIF1A
SCHEMBL11770967 0.76 FKBP1A (0.36) TSHRHTTSMN1; SMN2TLR4DNTT
SCHEMBL11062852 0.75 TSHR (0.34) TSHRHTTSMN1; SMN2DNTTCYP1A2
SCHEMBL11069436 0.71 CYP1A2 (0.35) CYP1A2HIF1A
SCHEMBL11065308 0.69 BRD4 (0.34) CYP1A2HIF1A

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