SCHEMBL28833008

SCHEMBL28833008

CCCCCCOC(=O)C1(C)CCCCC1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 3/20 0.40
MAPK1 P28482 2/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CES2 O00748 1/20 0.39
EPHX1 P07099 1/20 0.38
TSHR P16473 3/20 0.37
CYP3A4 P08684 2/20 0.37
ABCB11 O95342 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CYP2D6 P10635 1/20 0.37
CHRM1 P11229 1/20 0.37
CYP2C9 P11712 1/20 0.37
CHRM3 P20309 1/20 0.37
DRD1 P21728 1/20 0.37

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
SCHEMBL11229711 0.83 NAAA (0.38) NAAAMAPK1GAAHTTSMN1; SMN2
SCHEMBL27216268 0.83 NAAA (0.38) NAAAMAPK1GAAHTTSMN1; SMN2
SCHEMBL11225149 0.83 NAAA (0.38) NAAAMAPK1GAAHTTSMN1; SMN2
SCHEMBL11225142 0.83 NAAA (0.38) NAAAMAPK1GAAHTTSMN1; SMN2
SCHEMBL27216262 0.83 NAAA (0.38) NAAAMAPK1GAAHTTSMN1; SMN2
SCHEMBL16409183 0.79 CYP3A4 (0.39) NAAAMAPK1HTTTSHRCYP3A4
SCHEMBL16086399 0.78 NAAA (0.50) NAAACES2EPHX1TSHRLMNA
SCHEMBL17812548 0.78 NAAA (0.50) NAAACES2EPHX1TSHRLMNA
SCHEMBL17812665 0.78 NAAA (0.50) NAAACES2EPHX1TSHRLMNA
SCHEMBL17812544 0.78 NAAA (0.50) NAAACES2EPHX1TSHRLMNA

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-105980156-A Multilayer body 帝人株式会社 2016-09-28 CN disclosed