SCHEMBL9792159

SCHEMBL9792159

CCCCC(CC)CNC(=N)N(C1CCCCC1)C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
TSHR P16473 4/20 0.41
CYP3A4 P08684 1/20 0.41
HTT P42858 3/20 0.35
GLA P06280 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 2/20 0.33
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SIGMAR1 Q99720 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
MMP14 P50281 1/20 0.31
MMP1 P03956 1/20 0.31
MMP7 P09237 1/20 0.31

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
SCHEMBL9792151 0.79 TSHR (0.39) ALDH1A1TSHRCYP3A4HTTGLA
SCHEMBL9792149 0.76 ALDH1A1 (0.36) ALDH1A1TSHRCYP3A4TDP1
SCHEMBL9792153 0.75 NAAA (0.51) TSHRMEN1KMT2ANAAA
SCHEMBL4096348 0.74 ALDH1A1 (0.43) ALDH1A1TSHRCYP3A4L3MBTL1KDM4E
SCHEMBL4113741 0.71 TSHR (0.59) ALDH1A1TSHRCYP3A4HTTGLA
SCHEMBL16648548 0.70 EPHX1 (0.60) ALDH1A1KDM4EKMT2ASIGMAR1
SCHEMBL14448411 0.70 TSHR (0.57) ALDH1A1TSHRCYP3A4HTTGLA
SCHEMBL9792164 0.69 USP2 (0.45) ALDH1A1TSHRCYP3A4HTTMEN1
SCHEMBL2861071 0.69 ALDH1A1 (0.52) ALDH1A1TSHRCYP3A4HTTKDM4E
SCHEMBL11512656 0.69 ALDH1A1 (0.42) ALDH1A1TSHRCYP3A4L3MBTL1MEN1

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-5028259-A Extracting Gold And Silver From Aqueous Cyanide Solutions Using Guanidine Reagents HENKEL RESEARCH CORPORATION (US) 1991-07-02 US disclosed