SCHEMBL20078060

SCHEMBL20078060

CCC(=O)SCCCCC(C)(C)CC

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.38
FFAR1 O14842 1/20 0.38
CPT2 P23786 1/20 0.38

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
SCHEMBL20078059 0.84 CYP2C19 (0.38) TDP1FFAR1CPT2
SCHEMBL17036863 0.83 TDP1 (0.33) TDP1FFAR1CPT2
SCHEMBL13135021 0.78 TDP1 (0.42) TDP1
SCHEMBL15615683 0.73 CES2 (0.46) TDP1
SCHEMBL27160388 0.72 TDP1 (0.40) TDP1FFAR1CPT2
SCHEMBL9504312 0.72 CES2 (0.50) TDP1
SCHEMBL3683268 0.72 CES2 (0.50) TDP1
SCHEMBL6429395 0.72 FFAR1 (0.34) TDP1FFAR1CPT2
SCHEMBL11441143 0.72 CES2 (0.50) TDP1
SCHEMBL7804794 0.72 CES2 (0.50) TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9950001-B2 Polynucleotides having bioreversible groups THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-04-24 US disclosed