SCHEMBL22018592

SCHEMBL22018592

CCn1c(SCC(=O)Nc2ccccc2)nnc1C1C=C(C(=O)OC)C=CC1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
SLC27A1 Q6PCB7 2/20 0.54
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
TSHR P16473 3/20 0.52
ALOX15 P16050 1/20 0.51
MAPK1 P28482 1/20 0.51
MAPT P10636 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
CYP3A4 P08684 2/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
RORC P51449 1/20 0.47
USP2 O75604 1/20 0.47

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
SCHEMBL22018594 0.91 ALDH1A1 (0.55) ALDH1A1SLC27A1TSHRALOX15MAPK1
SCHEMBL22018589 0.89 ALDH1A1 (0.53) ALDH1A1SLC27A1TSHRALOX15MAPK1
SCHEMBL22019376 0.86 SLC27A1 (0.54) ALDH1A1SLC27A1MEN1KMT2ATSHR
SCHEMBL22019367 0.81 SLC27A1 (0.54) ALDH1A1SLC27A1MEN1KMT2ATSHR
SCHEMBL22019413 0.79 TSHR (0.53) ALDH1A1SLC27A1TSHRALOX15MAPK1
SCHEMBL22018801 0.79 TSHR (0.53) ALDH1A1SLC27A1TSHRALOX15MAPK1
SCHEMBL22018510 0.78 TSHR (0.54) ALDH1A1SLC27A1TSHRALOX15MAPK1
SCHEMBL4215408 0.77 ALDH1A1 (0.72) ALDH1A1MEN1KMT2ATSHRALOX15
SCHEMBL22019368 0.76 TSHR (0.54) ALDH1A1SLC27A1TSHRMAPK1MAPT
SCHEMBL22018590 0.73 ALDH1A1 (0.61) ALDH1A1SLC27A1TSHRALOX15MAPK1

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-3653054-A1 COMPOSITION FOR INHIBITION OF INSECT SENSING Vanderbilt University (US) 2020-05-20 EP disclosed