SCHEMBL30758917

SCHEMBL30758917

NCCNCC(N)C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.40
DPP4 P27487 1/20 0.39
TP53 P04637 2/20 0.38
ANPEP P15144 3/20 0.37
LMNA P02545 3/20 0.36
KDM4E B2RXH2 2/20 0.36
GMNN O75496 1/20 0.36
MAPT P10636 1/20 0.36
BLM P54132 1/20 0.36
PMP22 Q01453 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CA12 O43570 2/20 0.35
CA6 P23280 2/20 0.35
CA7 P43166 2/20 0.35
CA9 Q16790 2/20 0.35
CA14 Q9ULX7 2/20 0.35
CA5B Q9Y2D0 2/20 0.35
MEN1 O00255 1/20 0.35
RECQL P46063 1/20 0.35
KMT2A Q03164 1/20 0.35

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
Acetic Acid SCHEMBL28233856 0.88 ALDH1A1 (0.39) EPHX1TP53ANPEPLMNAKDM4E
SCHEMBL3724615 0.72 EPHX1 (0.39) EPHX1DPP4TP53ANPEPLMNA
SCHEMBL18849339 0.72 KDM4E (0.56) EPHX1DPP4TP53ANPEPLMNA
SCHEMBL4243546 0.72 EPHX1 (0.44) EPHX1DPP4TP53LMNAKDM4E
SCHEMBL13276184 0.72 TP53 (0.38) EPHX1TP53LMNAKDM4EGMNN
SCHEMBL1397325 0.72 EPHX1 (0.48) EPHX1DPP4TP53LMNAKDM4E
SCHEMBL13673867 0.71 EPHX1 (0.38) EPHX1DPP4TP53ANPEPLMNA
SCHEMBL28341935 0.71 EPHX1 (0.43) EPHX1DPP4TP53LMNAKDM4E
SCHEMBL8070691 0.71 EPHX1 (0.59) EPHX1DPP4TP53LMNAKDM4E
SCHEMBL21656667 0.71 EPHX1 (0.59) EPHX1DPP4TP53LMNAKDM4E

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-3487530-B1 TARGETED RADIOTHERAPY CHELATES FOR IN SITU IMMUNE MODULATED CANCER VACCINATION WISCONSIN ALUMNI RES FOUND (US) 2024-03-20 EP claimed