SCHEMBL4030091

SCHEMBL4030091

[SiH3]OCCCNc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.64
ALDH1A1 P00352 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.45
KCNH3 Q9ULD8 1/20 0.42
PPARG P37231 1/20 0.41
DRD2 P14416 2/20 0.39
DRD4 P21917 2/20 0.39
DRD3 P35462 2/20 0.39
HTR1B P28222 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
F2 P00734 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
TSHR P16473 1/20 0.36
HTR1D P28221 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
SCHEMBL1185276 0.94 MAPT (0.61) MAPTALDH1A1L3MBTL1KCNH3PPARG
SCHEMBL4970157 0.79 ALDH1A1 (0.89) MAPTALDH1A1L3MBTL1KCNH3F2
SCHEMBL2065279 0.79 ALDH1A1 (1.00) MAPTALDH1A1L3MBTL1KCNH3DRD4
SCHEMBL6646246 0.79 ALDH1A1 (0.64) MAPTALDH1A1L3MBTL1KCNH3PPARG
SCHEMBL5160329 0.79 DRD4 (0.64) MAPTALDH1A1L3MBTL1PPARGDRD2
SCHEMBL14968385 0.77 ALDH1A1 (0.84) MAPTALDH1A1L3MBTL1KCNH3F2
SCHEMBL11759173 0.77 ALDH1A1 (0.84) MAPTALDH1A1L3MBTL1KCNH3F2
SCHEMBL4104788 0.77 ALDH1A1 (0.84) MAPTALDH1A1L3MBTL1KCNH3F2
Hydrochloric Acid SCHEMBL3634998 0.77 ALDH1A1 (0.94) MAPTALDH1A1L3MBTL1KCNH3DRD4
SCHEMBL4643729 0.77 ALDH1A1 (0.84) MAPTALDH1A1L3MBTL1KCNH3F2

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-20090169593-A1 METHOD OF USING AND PRODUCING TROPOELASTIN AND TROPOELASTIN BIOMATERIALS BIOMEDICAL RESEARCH SERVICES, INC. (US) 2009-07-02 US disclosed