SCHEMBL8029778

SCHEMBL8029778

CCOC(=O)CC(C(=O)N1CCCC1)c1ccc(NC)c(N)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 2/20 0.40
HTT P42858 1/20 0.40
GAA P10253 1/20 0.39
PTGER4 P35408 1/20 0.38
ALOX15 P16050 1/20 0.37
TSHR P16473 2/20 0.37
PRKCI P41743 1/20 0.36
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
HPGD P15428 2/20 0.35
KCNQ2 O43526 1/20 0.35
RAB9A P51151 5/20 0.35
NPC1 O15118 4/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 1/20 0.34

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
SCHEMBL7967929 0.83 LMNA (0.43) ALDH1A1KDM4EHTTGAASMN1; SMN2
SCHEMBL8029767 0.83 ALOX15 (0.43) ALDH1A1KDM4EHTTPTGER4ALOX15
SCHEMBL7977861 0.77 GAA (0.47) ALDH1A1KDM4EHTTGAATSHR
SCHEMBL7978452 0.73 VCAM1 (0.46) ALDH1A1KDM4EHTTGAARAB9A
SCHEMBL7097430 0.72 ALOX15 (0.35) ALDH1A1KDM4EHTTPTGER4ALOX15
SCHEMBL7411883 0.72 AAK1 (0.41) PRKCI
SCHEMBL7476265 0.72 ALOX15 (0.36) ALDH1A1KDM4EHTTPTGER4ALOX15
SCHEMBL408918 0.66 PTGER4 (0.67) ALDH1A1KDM4EHTTGAAPTGER4
SCHEMBL7981111 0.65 KDM4E (0.48) ALDH1A1KDM4EGAASMN1; SMN2HPGD
SCHEMBL7981483 0.64 PRKCI (0.39) ALDH1A1HTTGAAPRKCISMN1; SMN2

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-6114532-A ANTICOAGULANT BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-09-05 US disclosed