SCHEMBL7435959

SCHEMBL7435959

N=C(N)NCCCCCCCCC=O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
CYP1A2 P05177 1/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.38
ALB P02768 1/20 0.36
HIF1A Q16665 2/20 0.36
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35
FAAH O00519 2/20 0.34
TRPV1 Q8NER1 1/20 0.34
SPHK1 Q9NYA1 3/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPK1 P28482 1/20 0.33
SLC6A5 Q9Y345 1/20 0.33
PAOX Q6QHF9 2/20 0.32

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
SCHEMBL1774553 1.00 MEN1 (0.50) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15
SCHEMBL7283602 1.00 MEN1 (0.50) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15
SCHEMBL5497459 1.00 MEN1 (0.50) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15
SCHEMBL436282 0.98 ALOX15 (0.47) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15
Hydrochloric Acid SCHEMBL30374046 0.96 ALOX15 (0.46) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15
SCHEMBL261594 0.91
SCHEMBL17384745 0.83 ALOX15 (0.48) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15
SCHEMBL4318601 0.82
SCHEMBL1923256 0.82 SMN1; SMN2 (0.67) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15
SCHEMBL3069140 0.82 SMN1; SMN2 (0.67) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0577775-A4 ANTI-THROMBOTIC PEPTIDES AND PSEUDOPEPTIDES. RHONE POULENC RORER INT (US) 1995-01-11 EP disclosed
US-5332726-A Anticoagulant RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1994-07-26 US disclosed
EP-0577775-A1 ANTI-THROMBOTIC PEPTIDES AND PSEUDOPEPTIDES RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1994-01-12 EP disclosed
WO-1992017196-A1 ANTI-THROMBOTIC PEPTIDES AND PSEUDOPEPTIDES RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1992-10-15 WO disclosed