SCHEMBL11225142

SCHEMBL11225142

CCCCCCCOC(=O)C1CCCCC1(C)C(=O)OCCCCCCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CES2 O00748 1/20 0.37
EPHX2 P34913 2/20 0.37
PSEN1 P49768 3/20 0.36
EPHX1 P07099 1/20 0.36
TSHR P16473 3/20 0.36
ABCB11 O95342 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CYP3A4 P08684 1/20 0.36
CHRM5 P08912 1/20 0.36
CYP2D6 P10635 1/20 0.36
CHRM1 P11229 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL11225149 1.00 NAAA (0.38) NAAAGAAMAPK1HTTSMN1; SMN2
SCHEMBL11229711 1.00 NAAA (0.38) NAAAGAAMAPK1HTTSMN1; SMN2
SCHEMBL11229001 0.94 CYP3A4 (0.37) MAPK1HTTEPHX2TSHRABCB11
SCHEMBL27216268 0.89 NAAA (0.38) NAAAGAAMAPK1HTTSMN1; SMN2
SCHEMBL27216262 0.89 NAAA (0.38) NAAAGAAMAPK1HTTSMN1; SMN2
SCHEMBL27216297 0.83 CYP3A4 (0.37) MAPK1HTTEPHX2TSHRABCB11
SCHEMBL21950876 0.83 CYP3A4 (0.37) MAPK1PSEN1TSHRABCB11LMNA
SCHEMBL27608683 0.80 TSHR (0.44) TSHRABCB11LMNACYP1A2CHRM2
SCHEMBL21950906 0.80 F10 (0.41) PSEN1TSHRABCB11LMNACYP1A2
SCHEMBL11230973 0.80 CYP3A4 (0.34) GAAMAPK1HTTSMN1; SMN2TSHR

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-4314946-A Process for the continuous separation of maleic anhydride from process gases FTALITAL PRODOTTI CHIMICI SPECIALI S.P.A. (IT) 1982-02-09 US disclosed