SCHEMBL13227481

SCHEMBL13227481

CC1(C)CC(NC(=O)OCCCCCCO)CC(C)(C)N1O

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.42
GAA P10253 3/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
EPHX1 P07099 3/20 0.40
KMT2A Q03164 1/20 0.37
NAAA Q02083 5/20 0.36
TSHR P16473 1/20 0.35

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
SCHEMBL26083144 0.77 GAA (0.39) GAAKDM4EMAPK1HTTSMN1; SMN2
SCHEMBL9816089 0.77 TSHR (0.38) ACHEGAAKDM4EMAPK1HTT
SCHEMBL24239672 0.76 ALDH1A1 (0.46) ACHEGAAMAPK1HTTSMN1; SMN2
SCHEMBL20355693 0.75 GAA (0.49) GAAKDM4EHTTSMN1; SMN2KMT2A
SCHEMBL5697678 0.75 MAPT (0.45) GAAKDM4ESMN1; SMN2KMT2A
SCHEMBL16623966 0.74 KDM4E (0.39) GAAKDM4EMAPK1EPHX1KMT2A
SCHEMBL16623965 0.74 EPHX1 (0.39) GAAKDM4EEPHX1KMT2ATSHR
SCHEMBL22111948 0.71 GAA (0.56) ACHEGAAMAPK1HTTSMN1; SMN2
SCHEMBL17740426 0.71 EPHX2 (0.34) GAAKDM4EHTTEPHX1NAAA
SCHEMBL10719486 0.70 GAA (0.54) ACHEGAAMAPK1HTTSMN1; SMN2

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-7772325-B2 Thermoplastic elastomer composition THE YOKOHAMA RUBBER CO., LTD. (JP) 2010-08-10 US disclosed