SCHEMBL5655081

SCHEMBL5655081

CCCCNC(=S)NCCCC.CCNC(=S)NCC

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.65
CYP3A4 P08684 1/20 0.65
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
SMN1; SMN2 Q16637 4/20 0.47
LMNA P02545 2/20 0.47
HTT P42858 2/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
ALOX12 P18054 1/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MMP2 P08253 1/20 0.45
HRH4 Q9H3N8 2/20 0.45
HRH2 P25021 1/20 0.44
EPHX2 P34913 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
EPHX1 P07099 1/20 0.43

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
SCHEMBL9666733 1.00 ALDH1A1 (0.65) ALDH1A1CYP3A4MEN1KMT2ASMN1; SMN2
SCHEMBL20204692 0.93 ALDH1A1 (0.62) ALDH1A1CYP3A4MEN1KMT2ASMN1; SMN2
SCHEMBL17219 0.92 KMT2A (0.57) ALDH1A1CYP3A4MEN1KMT2ASMN1; SMN2
SCHEMBL8396753 0.91 ALDH1A1 (0.59) ALDH1A1CYP3A4HRH4HRH2EPHX2
SCHEMBL11594299 0.91 ALDH1A1 (0.59) ALDH1A1CYP3A4HRH4HRH2EPHX2
SCHEMBL11596858 0.91 ALDH1A1 (0.59) ALDH1A1CYP3A4HRH4HRH2EPHX2
SCHEMBL11594821 0.91 ALDH1A1 (0.59) ALDH1A1CYP3A4HRH4HRH2EPHX2
SCHEMBL14860830 0.87 KMT2A (0.53) ALDH1A1CYP3A4MEN1KMT2ASMN1; SMN2
SCHEMBL11053795 0.85 EPHX1 (0.60) MEN1KMT2ASMN1; SMN2LMNAEPHX2
SCHEMBL11594862 0.85 EPHX1 (0.60) MEN1KMT2ASMN1; SMN2LMNAEPHX2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7301042-B2 Blocked mercaptosilane hydrolyzates as coupling agents for mineral-filled elastomer compositions MOMENTIVE PERFORMANCE MATERIALS INC. 2007-11-27 US disclosed
US-20030199619-A1 Blocked mercaptosilane hydrolyzates as coupling agents for mineral-filled elastomer compositions CROMPTON CORPORATION 2003-10-23 US disclosed