SCHEMBL8131978

SCHEMBL8131978

C[C@@H](NC(=O)Oc1ccccc1)c1ccccc1I

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.47
ALDH1A1 P00352 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
GAA P10253 3/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 3/20 0.44
MAPT P10636 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
FAAH O00519 1/20 0.41
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
CDK5 Q00535 1/20 0.40
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL8701763 0.79 ALDH1A1 (0.54) SLC1A3ALDH1A1MEN1KMT2AGAA
SCHEMBL8134776 0.79 ALDH1A1 (0.54) SLC1A3ALDH1A1MEN1KMT2AGAA
SCHEMBL9046891 0.79 ALDH1A1 (0.54) SLC1A3ALDH1A1MEN1KMT2AGAA
SCHEMBL3679108 0.77 ACACB (0.43) HTT
SCHEMBL1895598 0.77 SLC1A3 (0.57) SLC1A3ALDH1A1MEN1KMT2AGAA
SCHEMBL1849668 0.75 SLC1A3 (0.56) SLC1A3ALDH1A1MEN1KMT2AGAA
SCHEMBL9267275 0.74 ACACB (0.62) SLC1A3ALDH1A1MEN1KMT2AGAA
SCHEMBL23240006 0.74 SLC1A3 (0.54) SLC1A3ALDH1A1MEN1KMT2AGAA
SCHEMBL1833147 0.74 SLC1A3 (0.58) SLC1A3ALDH1A1MEN1KMT2AGAA
SCHEMBL1837626 0.74 SLC1A3 (0.58) SLC1A3ALDH1A1MEN1KMT2AGAA

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
EP-0738269-B1 PIPERIDINE DERIVATIVES WITH PAF ANTAGONIST ACTIVITY URIACH & CIA SA J (ES) 2000-04-26 EP disclosed