SCHEMBL29952543

SCHEMBL29952543

O=C(O)CCCNC1CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.50
ALDH1A1 P00352 2/20 0.44
LMNA P02545 3/20 0.43
SLC22A6 Q4U2R8 1/20 0.43
EPHX1 P07099 1/20 0.43
TSHR P16473 2/20 0.42
PMP22 Q01453 2/20 0.42
NFKB1 P19838 1/20 0.42
HSD17B10 Q99714 2/20 0.40
CYP2C9 P11712 1/20 0.40
MEN1 O00255 1/20 0.40
NR1I2 O75469 1/20 0.40
POLB P06746 1/20 0.40
THRB P10828 1/20 0.40
ACHE P22303 1/20 0.40
APEX1 P27695 1/20 0.40
RECQL P46063 1/20 0.40
BLM P54132 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL16439924 0.98 EPHX2 (0.49) EPHX2ALDH1A1LMNASLC22A6EPHX1
SCHEMBL12482731 0.91 EPHX2 (0.56) EPHX2ALDH1A1LMNASLC22A6EPHX1
SCHEMBL1288428 0.91 EPHX2 (0.61) EPHX2ALDH1A1EPHX1MEN1KMT2A
SCHEMBL24642929 0.91 EPHX1 (0.53) EPHX2ALDH1A1LMNASLC22A6EPHX1
SCHEMBL16439922 0.90 EPHX2 (0.54) EPHX2ALDH1A1LMNASLC22A6EPHX1
SCHEMBL2677321 0.90 EPHX2 (0.64) EPHX2ALDH1A1EPHX1KMT2ACXCR4
SCHEMBL16440004 0.90 EPHX2 (0.59) EPHX2ALDH1A1EPHX1MEN1KMT2A
SCHEMBL16440007 0.88 EPHX2 (0.62) EPHX2ALDH1A1EPHX1KMT2ACXCR4
SCHEMBL21048999 0.88 EPHX2 (0.45) EPHX2ALDH1A1LMNASLC22A6EPHX1
SCHEMBL16439978 0.88 EPHX2 (0.62) EPHX2ALDH1A1EPHX1KMT2ACXCR4

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed