SCHEMBL18652178

SCHEMBL18652178

O=C(OO)c1cccc(CI)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.49
CYP4F2 P78329 3/20 0.47
CYP4A11 Q02928 3/20 0.47
MRGPRX4 Q96LA9 6/20 0.42
SLC7A5 Q01650 3/20 0.42
FOLH1 Q04609 1/20 0.42
KMT2A Q03164 2/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
MITF O75030 1/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
XBP1 P17861 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 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
SCHEMBL27962222 0.84 LOXL2 (0.47) LOXL2CYP4F2CYP4A11MRGPRX4SLC7A5
SCHEMBL4446686 0.84 LOXL2 (0.70) LOXL2CYP4F2CYP4A11MRGPRX4SLC7A5
SCHEMBL20109815 0.81 PARP1 (0.53) LOXL2FOLH1KMT2ATDP1MEN1
SCHEMBL28351277 0.80 PRSS1 (0.54) LOXL2CYP4F2CYP4A11MRGPRX4SLC7A5
SCHEMBL22019046 0.80 SLC7A5 (0.62) LOXL2CYP4F2CYP4A11MRGPRX4SLC7A5
SCHEMBL28037686 0.80 LOXL2 (0.44) LOXL2CYP4F2CYP4A11MRGPRX4SLC7A5
SCHEMBL38746 0.80 ATM (0.48) LOXL2CYP4F2CYP4A11KMT2ATDP1
SCHEMBL1421808 0.79 FOLH1 (0.66) MRGPRX4FOLH1KMT2ATP53NFKB1
SCHEMBL481109 0.78 LOXL2 (0.62) LOXL2CYP4F2CYP4A11MRGPRX4SLC7A5
SCHEMBL27924009 0.78 SLC7A5 (0.47) LOXL2CYP4F2CYP4A11SLC7A5KMT2A

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-20170081455-A1 SUPRAMOLECULAR ELASTOMER NETWORKS CONTAINING GRAFTED OLIGOAMIDE HARD COMPONENTS THE UNIVERSITY OF AKRON 2017-03-23 US disclosed