SCHEMBL28986977

SCHEMBL28986977

CCCCOCC(C)OCC(C)OCC(C)OCCCC.COCC(C)OCC(C)OCC(C)OCC(C)OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.44
PRKD3 O94806 1/20 0.35
PRKCG P05129 1/20 0.35
PRKCB P05771 1/20 0.35
PRKCA P17252 1/20 0.35
PRKCH P24723 1/20 0.35
PRKCI P41743 1/20 0.35
PRKCE Q02156 1/20 0.35
PRKCQ Q04759 1/20 0.35
PRKCZ Q05513 1/20 0.35
PRKCD Q05655 1/20 0.35
PRKD1 Q15139 1/20 0.35
LPAR1 Q92633 9/20 0.34
LPAR3 Q9UBY5 9/20 0.34
LPAR2 Q9HBW0 4/20 0.34
LPAR6 P43657 3/20 0.34
LPAR4 Q99677 3/20 0.34
LPAR5 Q9H1C0 3/20 0.34
SPHK1 Q9NYA1 1/20 0.33
USP2 O75604 1/20 0.33

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
SCHEMBL13559673 0.93 TDP1 (0.50) TDP1PRKD3PRKCGPRKCBPRKCA
SCHEMBL19528587 0.93 TDP1 (0.50) TDP1PRKD3PRKCGPRKCBPRKCA
SCHEMBL429585 0.89 TDP1 (0.53) TDP1PRKD3PRKCGPRKCBPRKCA
SCHEMBL28729672 0.89 TDP1 (0.53) TDP1PRKD3PRKCGPRKCBPRKCA
SCHEMBL230477 0.89 TDP1 (0.53) TDP1PRKD3PRKCGPRKCBPRKCA
SCHEMBL431994 0.89 TDP1 (0.53) TDP1PRKD3PRKCGPRKCBPRKCA
SCHEMBL28728615 0.89 TDP1 (0.53) TDP1PRKD3PRKCGPRKCBPRKCA
SCHEMBL23159892 0.87 TDP1 (0.48) TDP1PRKD3PRKCGPRKCBPRKCA
SCHEMBL31310702 0.87 TDP1 (0.48) TDP1PRKD3PRKCGPRKCBPRKCA
SCHEMBL31387066 0.87 TDP1 (0.41) TDP1LPAR1LPAR3LPAR2LPAR6

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
CN-114027309-B Iodine-containing disinfectant containing polyvinylpyrrolidone and polyalcohol ether and preparation method thereof 佛山市正典生物技术有限公司 2023-04-25 CN claimed