SCHEMBL23818481

SCHEMBL23818481

CC(=O)NCCCCCC(=O)N1CCOc2ccc(N(CCC#N)C(=O)CCl)cc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FEM1B Q9UK73 2/20 0.55
FNIP1 Q8TF40 1/20 0.55
ALDH1A1 P00352 5/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 2/20 0.42
BRD4 O60885 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPT P10636 1/20 0.39
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PKM P14618 1/20 0.38

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
SCHEMBL23818554 0.94 FEM1B (0.55) FEM1BFNIP1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL23817969 0.84 FNIP1 (0.67) FEM1BFNIP1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL23818422 0.81 FEM1B (0.60) FEM1BFNIP1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL23818425 0.81 FEM1B (0.57) FEM1BFNIP1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL30132893 0.79 FEM1B (0.59) FEM1BFNIP1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL23804984 0.79 FEM1B (0.59) FEM1BFNIP1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL23817966 0.79 FEM1B (0.61) FEM1BFNIP1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL23817837 0.78 FEM1B (0.54) FEM1BFNIP1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL23818490 0.76 FNIP1 (0.53) FEM1BFNIP1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL25455177 0.75 FNIP1 (0.53) FEM1BFNIP1ALDH1A1RAB9ASMN1; 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
WO-2021183431-A1 FEM1B PROTEIN BINDING AGENTS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-09-16 WO disclosed