SCHEMBL11228682

SCHEMBL11228682

CCCCC1CCCC1(OC(C)=O)OC(C)=O

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.42
ARG1 P05089 3/20 0.34
ARG2 P78540 2/20 0.34
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
NAAA Q02083 2/20 0.32
EP300 Q09472 1/20 0.31
HIF1A Q16665 1/20 0.31
CREBBP Q92793 1/20 0.31

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
SCHEMBL11226910 0.95 TDP1 (0.38) TDP1ARG1ARG2ALDH1A1NAAA
SCHEMBL11229484 0.94 TDP1 (0.38) TDP1ARG1ARG2NAAA
SCHEMBL11233097 0.90 EP300 (0.32) TDP1EP300HIF1ACREBBP
SCHEMBL8594699 0.89 TDP1 (0.37) TDP1ARG1ARG2
SCHEMBL11229854 0.83 NPSR1 (0.36) EP300HIF1ACREBBP
SCHEMBL3812519 0.78 NPSR1 (0.35) TDP1CYP1A2EP300HIF1ACREBBP
SCHEMBL11240219 0.75 EP300 (0.34) ALDH1A1EP300HIF1ACREBBP
SCHEMBL11223605 0.74 GAA (0.36) EP300HIF1ACREBBP
SCHEMBL2640116 0.74 TDP1 (0.35) TDP1CYP1A2NAAA
SCHEMBL7054353 0.70 TDP1 (0.38) TDP1ALDH1A1CYP1A2NAAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4338458-A Cyclopentane derivatives useful as perfuming agents FIRMENICH SA (CH) 1982-07-06 US disclosed
US-4280934-A Cyclopentane derivatives useful as perfuming agents FIRMENICH SA (CH) 1981-07-28 US disclosed