SCHEMBL11716752

SCHEMBL11716752

O=C(O)c1occc1CCOCCOCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.47
NAAA Q02083 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ESR1 P03372 1/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
APEX1 P27695 1/20 0.41
MAPK1 P28482 1/20 0.41
ESR2 Q92731 1/20 0.41
KCNA5 P22460 4/20 0.39
KCNA3 P22001 3/20 0.39
KCNA1 Q09470 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ALDH1A1 P00352 2/20 0.38
SLC1A1 P43005 1/20 0.36

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
SCHEMBL11040710 0.87 KMT2A (0.50) KMT2ATDP1L3MBTL1ESR1TP53
SCHEMBL8507182 0.79 KMT2A (0.61) KMT2ATDP1L3MBTL1ESR1TP53
SCHEMBL11525137 0.77 TDP1 (0.46) KMT2ATDP1L3MBTL1ESR1TP53
SCHEMBL898043 0.76 TDP1 (0.42) KMT2ATDP1L3MBTL1ESR1TP53
SCHEMBL8823840 0.75 KMT2A (0.60) KMT2ATDP1L3MBTL1ESR1TP53
SCHEMBL13180110 0.75 GAA (0.48) KMT2ANAAATDP1L3MBTL1POLB
SCHEMBL11044495 0.75 KMT2A (0.62) KMT2ATDP1L3MBTL1ESR1TP53
SCHEMBL30117303 0.73 TDP1 (0.56) KMT2ATDP1L3MBTL1ESR1TP53
SCHEMBL23043892 0.73 ALDH1A1 (0.47) KMT2ASMN1; SMN2LMNAHTTTSHR
SCHEMBL291607 0.73 FOLH1 (0.54) KMT2ATDP1L3MBTL1TP53SMN1; 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
US-4024164-A BENZOIC ACID, ANTIMICROBIAL AGENT THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 1977-05-17 US disclosed