SCHEMBL20008913

SCHEMBL20008913

O=C(OCCS(=O)(=O)O)C12CC3CC(C1)CC(C(=O)OCCS(=O)(=O)O)(C3)C2

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.57
ALDH1A1 P00352 5/20 0.42
L3MBTL1 Q9Y468 2/20 0.40
LMNA P02545 3/20 0.39
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
MAPT P10636 1/20 0.39
PRKCA P17252 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
CYP17A1 P05093 1/20 0.36
CYP19A1 P11511 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
GAA P10253 1/20 0.35
ABL1 P00519 1/20 0.35
TSHR P16473 1/20 0.35
RIN1 Q13671 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
SCHEMBL10172880 0.91 ALDH1A1 (0.53) NPSR1ALDH1A1L3MBTL1LMNASMN1; SMN2
SCHEMBL98471 0.90 ALDH1A1 (0.47) NPSR1ALDH1A1LMNAKMT2AMEN1
SCHEMBL10172810 0.86 NPSR1 (0.50) NPSR1ALDH1A1L3MBTL1LMNAKMT2A
SCHEMBL18775888 0.85 NPSR1 (0.47) NPSR1ALDH1A1L3MBTL1LMNAKMT2A
SCHEMBL10172809 0.84 NPSR1 (0.52) NPSR1ALDH1A1L3MBTL1LMNAKMT2A
SCHEMBL19261212 0.83 NPSR1 (0.42) NPSR1ALDH1A1L3MBTL1LMNAKMT2A
SCHEMBL10172812 0.83 ALDH1A1 (0.51) NPSR1ALDH1A1L3MBTL1LMNASMN1; SMN2
SCHEMBL18775993 0.82 NPSR1 (0.44) NPSR1ALDH1A1L3MBTL1LMNAKMT2A
SCHEMBL20009264 0.82 NPSR1 (0.44) NPSR1ALDH1A1L3MBTL1LMNAKMT2A
SCHEMBL17446710 0.82 NPSR1 (0.41) NPSR1ALDH1A1L3MBTL1LMNAKMT2A

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-20180085019-A1 ADHESIVE COMPOSITION, BIO-ELECTRODE, AND METHOD FOR MANUFACTURING A BIO-ELECTRODE SHIN-ETSU CHEMICAL CO., LTD. (JP) 2018-03-29 US disclosed