SCHEMBL10500491

SCHEMBL10500491

O=C(OC=CCCl)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
F2 P00734 1/20 0.47
TDP1 Q9NUW8 4/20 0.44
ALDH1A1 P00352 4/20 0.44
TSHR P16473 4/20 0.44
MAPK1 P28482 3/20 0.44
HIF1A Q16665 2/20 0.44
TRPA1 O75762 1/20 0.44
GSK3B P49841 1/20 0.44
KMT2A Q03164 4/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A3 Q01959 1/20 0.43
TP53 P04637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PLA2G7 Q13093 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPT P10636 3/20 0.39
POLB P06746 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
SCHEMBL6551404 0.86 LMNA (0.44) LMNAF2TDP1ALDH1A1TSHR
SCHEMBL17459752 0.83 LMNA (0.48) LMNAF2TDP1ALDH1A1TSHR
SCHEMBL8387828 0.82 LMNA (0.52) LMNAF2TDP1ALDH1A1TSHR
SCHEMBL28182671 0.82 LMNA (0.61) LMNAF2TDP1ALDH1A1TSHR
SCHEMBL5351140 0.81 LMNA (0.47) LMNAF2TDP1ALDH1A1TSHR
SCHEMBL27817568 0.81 LMNA (0.47) LMNAF2TDP1ALDH1A1TSHR
SCHEMBL17459732 0.81 LMNA (0.47) LMNAF2TDP1ALDH1A1TSHR
SCHEMBL17459734 0.81 LMNA (0.47) LMNAF2TDP1ALDH1A1TSHR
SCHEMBL2434555 0.81 LMNA (0.50) LMNAF2TDP1ALDH1A1TSHR
SCHEMBL2434553 0.81 LMNA (0.50) LMNAF2TDP1ALDH1A1TSHR

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-4835312-A Production process of N-substituted amide compounds MITSUI CHEMICALS, INCORPORATED (JP) 1989-05-30 US disclosed