SCHEMBL9814839

SCHEMBL9814839

CCN(OC)[C@@H](Cc1ccccc1)C(=O)OP(=O)(O)Cl

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LAP3 P28838 5/20 0.44
ANPEP P15144 2/20 0.37
MMP8 P22894 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 2/20 0.36
RAB9A P51151 1/20 0.36
ACP3 P15309 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
NPY1R P25929 1/20 0.35
NPY2R P49146 1/20 0.35
ABCB1 P08183 1/20 0.35
CHRM1 P11229 1/20 0.34
ATM Q13315 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
SCHEMBL7114956 0.82 LAP3 (0.44) LAP3ANPEPACP3ALDH1A1MAPT
SCHEMBL9814756 0.76 ANPEP (0.33) LAP3ANPEP
SCHEMBL22321963 0.72 ACACB (0.35) LAP3ANPEPMEN1KMT2AALDH1A1
SCHEMBL9814698 0.72 MMP1 (0.30)
SCHEMBL6553506 0.70 LAP3 (0.47) LAP3ANPEPMEN1KMT2AACP3
SCHEMBL9814714 0.70
SCHEMBL30064101 0.69 POLB (0.44) LAP3POLBALDH1A1MAPTCHRM1
SCHEMBL30063821 0.69 PPARG (0.43) MEN1KMT2AATM
SCHEMBL6444758 0.69 SLC7A5 (0.46)
SCHEMBL27556823 0.69 POLB (0.47) ANPEPMMP8MEN1KMT2APOLB

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-0445201-A1 NUCLEOSIDE ANALOGUES MEDICAL RESEARCH COUNCIL (GB) 1991-09-11 EP claimed
WO-1990005736-A2 NUCLEOSIDE ANALOGUES MEDICAL RESEARCH COUNCIL (GB) 1990-05-31 WO claimed
EP-0445201-A1 NUCLEOSIDE ANALOGUES MEDICAL RESEARCH COUNCIL (GB) 1991-09-11 EP disclosed
WO-1990005736-A2 NUCLEOSIDE ANALOGUES MEDICAL RESEARCH COUNCIL (GB) 1990-05-31 WO disclosed